In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2011 | 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) | 1.49 | 5.97 | -41.97 | 1 | 6 | 1 | 46 | 320.461 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.49 | 3.53 | -8.2 | 0 | 6 | 0 | 45 | 319.453 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.