In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 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) | -0.52 | -2.08 | -40.49 | 5 | 6 | 1 | 100 | 242.299 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.52 | -2.41 | -10.84 | 4 | 6 | 0 | 99 | 241.291 | 3 | ↓ |