In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 24 | 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) | 2.43 | 7.03 | -55.21 | 3 | 5 | 1 | 63 | 324.404 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.43 | 7.47 | -94.24 | 4 | 5 | 2 | 65 | 325.412 | 3 | ↓ |