In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 28th, 2007 | 27 | Yes |
Popular Name: 3-bromo-N-[[4-(3-pyridylmethylcarbamoyl)phenyl]methyl]benzamide 3-bromo-N-[[4-(3-pyridylmethylca…
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) | 2.67 | 7.6 | -13.04 | 2 | 5 | 0 | 71 | 424.298 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.74 | 6.34 | -47.74 | 3 | 5 | 1 | 76 | 425.306 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.67 | -3.37 | -46.41 | 3 | 5 | 1 | 72 | 425.306 | 6 | ↓ |