In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 11th, 2009 | 27 | 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) | 2.46 | 5.89 | -18.82 | 1 | 7 | 0 | 85 | 385.445 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 7.25 | -51.94 | 1 | 7 | 0 | 89 | 385.445 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.37 | 7.7 | -51.91 | 1 | 7 | 1 | 83 | 386.453 | 5 | ↓ |