In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 17th, 2010 | 11 | 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) | -1.66 | -3.79 | -47.2 | 5 | 4 | 1 | 74 | 158.225 | 3 | ↓ |
Lo Low (pH 4.5-6) | -1.66 | -1.3 | -116.78 | 6 | 4 | 2 | 75 | 159.233 | 3 | ↓ |
Lo Low (pH 4.5-6) | -1.66 | -1.58 | -38.79 | 5 | 4 | 1 | 74 | 158.225 | 3 | ↓ |