In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 28th, 2006 | 28 | 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) | 3.95 | 8 | -13 | 1 | 7 | 0 | 82 | 415.906 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.95 | 8.72 | -40.46 | 2 | 7 | 1 | 83 | 416.914 | 8 | ↓ |