| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 21 | Yes |
Popular Name: (1S,3R)-1-[[(1-isopropylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethyl-cyclohexanamine (1S,3R)-1-[[(1-isopropylpyrazol-…
| 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) | 2.94 | 7.63 | -32.04 | 2 | 4 | 1 | 34 | 293.479 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.94 | 8.98 | -112.43 | 3 | 4 | 2 | 39 | 294.487 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.94 | 6.85 | -35.1 | 2 | 4 | 1 | 38 | 293.479 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
