In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 4th, 2010 | 37 | 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) | 5.45 | 13.17 | -16.13 | 1 | 7 | 0 | 75 | 499.611 | 11 | ↓ |
Mid Mid (pH 6-8) | 5.45 | 13.72 | -39.47 | 2 | 7 | 1 | 76 | 500.619 | 11 | ↓ |