In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 18 | 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) | 2.05 | 7.4 | -47.96 | 3 | 3 | 1 | 44 | 242.346 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.05 | 7.01 | -5.15 | 2 | 3 | 0 | 42 | 241.338 | 5 | ↓ |