In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2009 | 27 | Yes |
Popular Name: N-(4-methylthiazol-2-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide N-(4-methylthiazol-2-yl)-2-[4-[[…
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) | 2.98 | 7.84 | -49.47 | 2 | 5 | 1 | 50 | 399.462 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.54 | 7.25 | -37.43 | 2 | 5 | 1 | 53 | 399.462 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 6.85 | -36.7 | 1 | 5 | 0 | 56 | 398.454 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 5.57 | -9.91 | 1 | 5 | 0 | 48 | 398.454 | 6 | ↓ |