In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2008 | 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) | 3.12 | 13.26 | -13.84 | 0 | 6 | 0 | 54 | 395.532 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.12 | 14.01 | -27.04 | 1 | 6 | 0 | 55 | 396.54 | 7 | ↓ |