In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2006 | 18 | No |
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) | 2.37 | 4.68 | -13.2 | 3 | 5 | 0 | 69 | 262.338 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.83 | 2.86 | -45.8 | 2 | 5 | -1 | 72 | 261.33 | 5 | ↓ |