In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 11 | 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) | 0.34 | 3.81 | -48.12 | 3 | 1 | 1 | 28 | 154.208 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.34 | 3.5 | -2.85 | 2 | 1 | 0 | 26 | 153.2 | 1 | ↓ |