In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 25 | No |
Popular Name: 4-methyl-3-[4-[(2-methylthiazol-4-yl)methyl]piperazin-1-yl]-5-nitro-benzonitrile 4-methyl-3-[4-[(2-methylthiazol-…
None
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) | 2.23 | 10.95 | -49.61 | 1 | 7 | 1 | 90 | 358.447 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 8.72 | -8.73 | 0 | 7 | 0 | 89 | 357.439 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.