In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 20th, 2011 | 19 | 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) | 1.61 | 1.14 | -10.13 | 3 | 5 | 0 | 70 | 261.325 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.61 | 2.32 | -41.36 | 4 | 5 | 1 | 75 | 262.333 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.