In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 20 | Yes |
Popular Name: (2R,4S)-4-methyl-2-[(4-thiazol-2-ylpiperazin-1-yl)methyl]cyclohexanone (2R,4S)-4-methyl-2-[(4-thiazol-2…
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) | 1.94 | 9.1 | -39.23 | 1 | 4 | 1 | 38 | 294.444 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.94 | 7.34 | -7.51 | 0 | 4 | 0 | 36 | 293.436 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.