In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2009 | 17 | 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) | 1.89 | 5.38 | -42.24 | 3 | 3 | 1 | 42 | 229.303 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.89 | 4.03 | -7.9 | 2 | 3 | 0 | 37 | 228.295 | 2 | ↓ |