In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2014 | 16 | 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) | -0.20 | -1.86 | -36.49 | 1 | 6 | -1 | 84 | 218.24 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.20 | -0.86 | -8.83 | 2 | 6 | 0 | 82 | 219.248 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.20 | -0.88 | -8.78 | 2 | 6 | 0 | 82 | 219.248 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.20 | -0.46 | -38.91 | 3 | 6 | 1 | 83 | 220.256 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.20 | -0.49 | -38.92 | 3 | 6 | 1 | 83 | 220.256 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.