| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 20 | Yes |
Popular Name: (1R)-1-[3,5-dimethyl-1-(tetrahydropyran-4-ylmethyl)pyrazol-4-yl]-N-ethyl-propan-1-amine (1R)-1-[3,5-dimethyl-1-(tetrahyd…
| 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) | 1.61 | 7.27 | -37.78 | 2 | 4 | 1 | 44 | 280.436 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 6.87 | -6.42 | 1 | 4 | 0 | 39 | 279.428 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.61 | 6.84 | -95.47 | 3 | 4 | 2 | 45 | 281.444 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
