In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 25 | 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) | 2.64 | 8.85 | -18.7 | 2 | 6 | 0 | 79 | 338.342 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 8.39 | -46.67 | 1 | 6 | -1 | 78 | 337.334 | 3 | ↓ |