In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2010 | 12 | 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) | -0.57 | 0.76 | -46.76 | 4 | 2 | 1 | 48 | 184.646 | 0 | ↓ |
Hi High (pH 8-9.5) | -0.57 | 0.46 | -4.9 | 3 | 2 | 0 | 46 | 183.638 | 0 | ↓ |