In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 15 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.91 | 6.64 | -2.84 | 1 | 1 | 0 | 20 | 224.731 | 1 | ↓ |
Popular Name: (1R,3R)-1-(3,4-dichlorophenyl)-3-methyl-cyclohexanol (1R,3R)-1-(3,4-dichlorophenyl)-3…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.54 | 6.89 | -3.55 | 1 | 1 | 0 | 20 | 259.176 | 1 | ↓ |
Popular Name: (1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-cyclohexanol (1R,3S)-1-(3,4-dichlorophenyl)-3…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.54 | 7.1 | -3.36 | 1 | 1 | 0 | 20 | 259.176 | 1 | ↓ |
Popular Name: (1S,3R)-1-(3,4-dichlorophenyl)-3-methyl-cyclohexanol (1S,3R)-1-(3,4-dichlorophenyl)-3…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.54 | 7.1 | -3.36 | 1 | 1 | 0 | 20 | 259.176 | 1 | ↓ |
Popular Name: (1S,3S)-1-(3,4-dichlorophenyl)-3-methyl-cyclohexanol (1S,3S)-1-(3,4-dichlorophenyl)-3…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.54 | 6.89 | -3.55 | 1 | 1 | 0 | 20 | 259.176 | 1 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.90 | -0.89 | -3.16 | 1 | 1 | 0 | 20 | 210.704 | 1 | ↓ |
Popular Name: 9-(3-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol 9-(3-chlorophenyl)-1,2,3,4,4a,4b…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 6.16 | -0.67 | -2.36 | 1 | 1 | 0 | 20 | 304.861 | 1 | ↓ |
Popular Name: (4aS,4bR,8aS,9aS)-9-(3-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol (4aS,4bR,8aS,9aS)-9-(3-chlorophe…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 6.16 | 9.19 | -1.81 | 1 | 1 | 0 | 20 | 304.861 | 1 | ↓ |