In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 31 | 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) | 1.68 | 7.23 | -14.14 | 1 | 8 | 0 | 74 | 422.533 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 9.5 | -50.4 | 2 | 8 | 1 | 75 | 423.541 | 5 | ↓ |