In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 21 | 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) | 0.52 | 5.01 | -13.36 | 1 | 7 | 0 | 82 | 290.323 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.52 | 5.46 | -29.36 | 2 | 7 | 1 | 83 | 291.331 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.