In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2011 | 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) | 1.72 | 5.07 | -45.88 | 3 | 5 | 1 | 64 | 288.371 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.72 | 4.79 | -99.29 | 4 | 5 | 2 | 65 | 289.379 | 1 | ↓ |