| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2011 | 20 | Yes |
Popular Name: (2R)-3-[(2-cyclohexylthiazol-4-yl)methyl-ethyl-amino]-2-methyl-propanenitrile (2R)-3-[(2-cyclohexylthiazol-4-y…
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| 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) | 3.44 | 7.71 | -6.49 | 0 | 3 | 0 | 40 | 291.464 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 10.24 | -43.49 | 1 | 3 | 1 | 41 | 292.472 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
