In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2010 | 29 | 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) | -0.06 | 9.54 | -99.65 | 3 | 7 | 0 | 102 | 403.454 | 6 | ↓ |
Mid Mid (pH 6-8) | -2.80 | 8.24 | -80.4 | 4 | 7 | 1 | 105 | 404.462 | 5 | ↓ |