In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2011 | 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) | 2.32 | 7.44 | -34.15 | 1 | 3 | 1 | 17 | 221.324 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.32 | 5.09 | -3.93 | 0 | 3 | 0 | 16 | 220.316 | 3 | ↓ |