In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 2009 | 26 | 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) | 4.72 | 10.12 | -41.88 | 2 | 4 | 1 | 55 | 350.438 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.72 | 10.7 | -30.12 | 1 | 4 | 0 | 58 | 349.43 | 3 | ↓ |