In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 37 | 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) | 4.98 | 10.92 | -30.93 | 3 | 6 | 1 | 80 | 513.017 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.98 | 8.69 | -9.84 | 2 | 6 | 0 | 79 | 512.009 | 3 | ↓ |