In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 31 | 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) | 4.04 | 10.89 | -50.88 | 2 | 6 | 1 | 69 | 459.661 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.04 | 8.84 | -12.88 | 1 | 6 | 0 | 67 | 458.653 | 9 | ↓ |