In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 23 | Yes |
Popular Name: 1-[4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone 1-[4-(2-hydroxy-2-methyl-propyl)…
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) | 0.94 | 3.14 | -16.73 | 1 | 6 | 0 | 62 | 334.342 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.94 | 4.9 | -58.27 | 2 | 6 | 1 | 63 | 335.35 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.