In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 12th, 2008 | 23 | 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) | 4.55 | 9.77 | -13.62 | 1 | 3 | 0 | 42 | 304.393 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.55 | 10.04 | -31.55 | 2 | 3 | 1 | 43 | 305.401 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
mp | 262 | MolMall (formerly Molecular Diversity Preservation International) |