In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 18 | 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) | 3.18 | 5.32 | -42.59 | 3 | 3 | 1 | 46 | 272.434 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.18 | 3.91 | -5.46 | 2 | 3 | 0 | 41 | 271.426 | 11 | ↓ |