In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 21 | Yes |
Popular Name: (2S,4R)-4-tert-butyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexanone (2S,4R)-4-tert-butyl-2-[[methyl-…
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) | 2.40 | 9.45 | -40.6 | 1 | 4 | 1 | 39 | 292.447 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.40 | 7.59 | -9.54 | 0 | 4 | 0 | 38 | 291.439 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.