In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 29 | 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) | 2.69 | 11.52 | -13.9 | 1 | 7 | 0 | 76 | 396.422 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.69 | 11.99 | -31.44 | 2 | 7 | 1 | 78 | 397.43 | 6 | ↓ |