In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2009 | 21 | 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) | 0.45 | 4.87 | -51.09 | 3 | 5 | 1 | 66 | 290.387 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.45 | 3.5 | -9.64 | 2 | 5 | 0 | 61 | 289.379 | 5 | ↓ |