In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2006 | 25 | 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) | 5.86 | 12.75 | -14.65 | 1 | 4 | 0 | 53 | 326.403 | 4 | ↓ |
Lo Low (pH 4.5-6) | 5.86 | 13.15 | -28.31 | 2 | 4 | 1 | 54 | 327.411 | 4 | ↓ |