In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2007 | 34 | No |
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 | 8.36 | -55.39 | 0 | 7 | -1 | 82 | 483.972 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.12 | -0.8 | -50.53 | 1 | 7 | 1 | 77 | 485.988 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.70 | 10.7 | -71.32 | 1 | 7 | 0 | 83 | 484.98 | 8 | ↓ |