In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2009 | 29 | Yes |
Popular Name: N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methyl-benzamide N-[(1R)-1-[1-[(4-chlorophenyl)me…
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) | 5.43 | 12.65 | -9.92 | 1 | 4 | 0 | 47 | 403.913 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.43 | 13.12 | -37.83 | 2 | 4 | 1 | 48 | 404.921 | 5 | ↓ |
Popular Name: N-[(1S)-1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,4-dimethyl-benzamide N-[(1S)-1-[1-[(3,4-dichloropheny…
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) | 6.46 | 13.69 | -9.86 | 1 | 4 | 0 | 47 | 452.385 | 5 | ↓ |
Lo Low (pH 4.5-6) | 6.46 | 14.39 | -37.67 | 2 | 4 | 1 | 48 | 453.393 | 5 | ↓ |
Popular Name: N-[(1R)-1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,4-dimethyl-benzamide N-[(1R)-1-[1-[(3,4-dichloropheny…
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) | 6.46 | 13.77 | -9.48 | 1 | 4 | 0 | 47 | 452.385 | 5 | ↓ |
Lo Low (pH 4.5-6) | 6.46 | 14.31 | -36.42 | 2 | 4 | 1 | 48 | 453.393 | 5 | ↓ |