In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 15 | 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) | 2.78 | 8.17 | -6.84 | 1 | 2 | 0 | 29 | 198.269 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 8.69 | -35.56 | 2 | 2 | 1 | 30 | 199.277 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 8.2 | -9.19 | 1 | 2 | 0 | 29 | 198.269 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.