In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 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) | 2.52 | 6.76 | -52.2 | 0 | 5 | -1 | 75 | 279.275 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.52 | 7.1 | -52.07 | 1 | 5 | 0 | 76 | 280.283 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.52 | 7.08 | -39.21 | 1 | 5 | 0 | 76 | 280.283 | 3 | ↓ |