In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 10th, 2009 | 46 | No |
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) | 2.38 | 6.49 | -117.13 | 11 | 10 | 2 | 186 | 624.786 | 16 | ↓ |
Hi High (pH 8-9.5) | 2.38 | 6.1 | -71.74 | 10 | 10 | 1 | 184 | 623.778 | 16 | ↓ |