In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 18th, 2008 | 23 | 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) | 0.20 | 4.14 | -63.04 | 1 | 10 | -1 | 143 | 335.325 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.66 | 1.67 | -122.9 | 0 | 10 | -2 | 146 | 334.317 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.