In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 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) | 0.71 | 5.63 | -29.68 | 1 | 9 | 0 | 115 | 459.524 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.71 | 6.1 | -70.33 | 0 | 9 | -1 | 117 | 458.516 | 6 | ↓ |