In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 22 | 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) | 3.62 | 9.02 | -46.1 | 2 | 3 | 1 | 33 | 297.353 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.62 | 7.71 | -7.89 | 1 | 3 | 0 | 28 | 296.345 | 1 | ↓ |