In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 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) | 1.95 | 7.42 | -51.58 | 3 | 6 | 1 | 67 | 338.435 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.95 | 5.2 | -14.26 | 2 | 6 | 0 | 66 | 337.427 | 4 | ↓ |