In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 11 | 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) | -1.84 | -3.49 | -46.55 | 5 | 5 | 1 | 86 | 160.197 | 3 | ↓ |
Hi High (pH 8-9.5) | -1.84 | -3.88 | -9.78 | 4 | 5 | 0 | 84 | 159.189 | 3 | ↓ |