In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2011 | 17 | 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) | 1.72 | 5.43 | -52.72 | 2 | 5 | -1 | 79 | 237.279 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.72 | 5.3 | -63.54 | 3 | 5 | 0 | 80 | 238.287 | 6 | ↓ |