In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 19th, 2008 | 22 | 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) | 3.11 | 5.75 | -9.68 | 0 | 4 | 0 | 41 | 322.474 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.11 | 7.97 | -50.44 | 1 | 4 | 1 | 42 | 323.482 | 4 | ↓ |