| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 19 | Yes |
Popular Name: (2R,3S)-1-isobutyl-2-(1,3,5-trimethylpyrazol-4-yl)piperidin-3-amine (2R,3S)-1-isobutyl-2-(1,3,5-trim…
| 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) | 1.13 | 5.31 | -43.15 | 3 | 4 | 1 | 49 | 265.425 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.13 | 5 | -4.61 | 2 | 4 | 0 | 47 | 264.417 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.13 | 6.05 | -108.2 | 4 | 4 | 2 | 50 | 266.433 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.13 | 5.72 | -31.98 | 3 | 4 | 1 | 48 | 265.425 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
