In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 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) | -1.25 | 1.09 | -39.09 | 1 | 8 | 1 | 82 | 317.373 | 3 | ↓ |
Mid Mid (pH 6-8) | -1.25 | 2.99 | -49.82 | 1 | 8 | 1 | 82 | 317.373 | 3 | ↓ |
Mid Mid (pH 6-8) | -1.25 | 0.68 | -11.25 | 0 | 8 | 0 | 80 | 316.365 | 3 | ↓ |
Mid Mid (pH 6-8) | -1.25 | 3.41 | -111.46 | 2 | 8 | 2 | 83 | 318.381 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.