| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2006 | 20 | No |
Popular Name: 2-[cyclohexyl(methyl)amino]nicotinic acid 2-[cyclohexyl(methyl)amino]nicot…
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CAS Numbers: 477850-62-7 , 886361-91-7
| 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) | 1.96 | 4.67 | -17.38 | 2 | 4 | 0 | 58 | 283.253 | 4 | ↓ |
| Ref Reference (pH 7) | 1.96 | 4.66 | -18.85 | 2 | 4 | 0 | 58 | 283.253 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.42 | 2.93 | -65.06 | 1 | 4 | -1 | 61 | 282.245 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.42 | 3.05 | -65.26 | 1 | 4 | -1 | 61 | 282.245 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 3.79 | -22.41 | 2 | 4 | 0 | 61 | 283.253 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 1.23 | -12.34 | 2 | 4 | 0 | 61 | 283.253 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 3.38 | -19.32 | 2 | 4 | 0 | 61 | 283.253 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 0.66 | -10.5 | 2 | 4 | 0 | 61 | 283.253 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.02 | 4.82 | -47.23 | 3 | 4 | 1 | 63 | 284.261 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.02 | 4.41 | -40.98 | 3 | 4 | 1 | 63 | 284.261 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.