In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 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) | 3.14 | 11.17 | -33.59 | 1 | 5 | 1 | 43 | 377.512 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.14 | 11.46 | -88.96 | 2 | 5 | 2 | 44 | 378.52 | 3 | ↓ |