In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2010 | 18 | 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) | -0.47 | 2.74 | -46.22 | 3 | 6 | 1 | 81 | 252.294 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.47 | 1.15 | -13.68 | 2 | 6 | 0 | 80 | 251.286 | 3 | ↓ |