In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 7th, 2010 | 20 | 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) | 6.39 | 10.21 | -1.61 | 0 | 2 | 0 | 12 | 283.5 | 11 | ↓ |
Mid Mid (pH 6-8) | 6.39 | 12.16 | -33.68 | 1 | 2 | 1 | 14 | 284.508 | 11 | ↓ |