In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 21 | 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) | 1.97 | 7.16 | -45.73 | 2 | 4 | 1 | 42 | 284.383 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.97 | 7.62 | -81.3 | 3 | 4 | 2 | 43 | 285.391 | 4 | ↓ |