In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2011 | 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) | 0.61 | 2.54 | -4.7 | 0 | 2 | 0 | 20 | 151.209 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.61 | 4.97 | -37.35 | 1 | 2 | 1 | 22 | 152.217 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.