In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 13 | 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) | 2.05 | 3.96 | -6.75 | 1 | 2 | 0 | 36 | 178.21 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.05 | 5.18 | -47.79 | 2 | 2 | 1 | 40 | 179.218 | 2 | ↓ |