In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 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) | 0.41 | 5.49 | -74.34 | 1 | 6 | 0 | 82 | 280.39 | 10 | ↓ |
Hi High (pH 8-9.5) | 0.41 | 3.01 | -51.7 | 0 | 6 | -1 | 81 | 279.382 | 10 | ↓ |