| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: (1S,2R)-1-(4-ethyl-4-methyl-1-piperidyl)-1-(1-methylpyrazol-4-yl)propan-2-amine (1S,2R)-1-(4-ethyl-4-methyl-1-pi…
| 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) | 1.40 | 3.72 | -42.26 | 3 | 4 | 1 | 49 | 265.425 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 3.41 | -3.62 | 2 | 4 | 0 | 47 | 264.417 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 5.86 | -35.16 | 3 | 4 | 1 | 48 | 265.425 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 6.11 | -119.46 | 4 | 4 | 2 | 50 | 266.433 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
