In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 38 | 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) | 6.39 | 11.68 | -47.59 | 2 | 7 | 1 | 76 | 528.702 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.39 | 9.54 | -14.1 | 1 | 7 | 0 | 74 | 527.694 | 7 | ↓ |