In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 33 | 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) | 2.18 | -0.16 | -18.73 | 4 | 12 | 0 | 169 | 467.406 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.63 | -1.48 | -67.04 | 3 | 12 | -1 | 172 | 466.398 | 9 | ↓ |