In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 16 | Yes |
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) | 1.64 | 5.52 | -33.64 | 1 | 3 | 1 | 17 | 221.324 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 5.39 | -30.89 | 1 | 3 | 1 | 17 | 221.324 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 3.06 | -4.05 | 0 | 3 | 0 | 16 | 220.316 | 3 | ↓ |