In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 4th, 2008 | 14 | 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) | -0.03 | 0.51 | -15.96 | 2 | 6 | 0 | 84 | 189.178 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.03 | 0.8 | -47.62 | 3 | 6 | 1 | 85 | 190.186 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.