In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 22 | 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) | 3.32 | 9.3 | -81.67 | 2 | 3 | 2 | 12 | 307.526 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.32 | 9.16 | -35.63 | 1 | 3 | 1 | 11 | 306.518 | 2 | ↓ |