In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 16 | 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) | -0.52 | -1.02 | -51.21 | 4 | 5 | 1 | 69 | 228.316 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.52 | 0.86 | -99.51 | 5 | 5 | 2 | 70 | 229.324 | 4 | ↓ |