In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 32 | 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) | 5.78 | 12.42 | -40.73 | 3 | 5 | 1 | 59 | 446.958 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.78 | 10.68 | -9.34 | 2 | 5 | 0 | 57 | 445.95 | 5 | ↓ |