In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 20 | 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) | 2.90 | 6.77 | -36.56 | 2 | 3 | 1 | 29 | 277.432 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.90 | 9.11 | -112.3 | 3 | 3 | 2 | 30 | 278.44 | 7 | ↓ |