In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2009 | 19 | Yes |
None
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) | 3.22 | 6.7 | -11.8 | 3 | 4 | 0 | 68 | 254.268 | 2 | ↓ |
Popular Name: N-[(4-fluorophenyl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)aniline N-[(4-fluorophenyl)methyl]-2-(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) | 2.97 | 8 | -9.53 | 2 | 4 | 0 | 54 | 282.322 | 4 | ↓ |
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) | 3.20 | 6.93 | -8.04 | 3 | 4 | 0 | 68 | 254.268 | 2 | ↓ |
Ref Reference (pH 7) | 3.20 | 6.21 | -9.47 | 3 | 4 | 0 | 68 | 254.268 | 2 | ↓ |
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) | 2.84 | 6.16 | -8.43 | 3 | 4 | 0 | 68 | 254.268 | 2 | ↓ |
Popular Name: 5-(4-fluorophenyl)-3-(2-nitrophenyl)-1H-1,2,4-triazole 5-(4-fluorophenyl)-3-(2-nitrophe…
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) | 3.70 | 8.68 | -14.7 | 1 | 6 | 0 | 87 | 284.25 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.70 | 8.54 | -50.84 | 0 | 6 | -1 | 86 | 283.242 | 3 | ↓ |