In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 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) | -0.85 | 6.56 | -33.44 | 4 | 8 | 1 | 106 | 317.373 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.85 | 6.1 | -22.23 | 3 | 8 | 0 | 105 | 316.365 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.85 | 6.56 | -60.45 | 4 | 8 | 1 | 106 | 317.373 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.85 | 7.01 | -85.99 | 5 | 8 | 2 | 107 | 318.381 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.