| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 20 | Yes |
Popular Name: (1R)-1-[(3S)-1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]-3-piperidyl]ethanamine (1R)-1-[(3S)-1-[[1-(1-ethylpropy…
| 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) | 2.15 | 4.99 | -43.8 | 3 | 4 | 1 | 49 | 279.452 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.15 | 7.16 | -31.58 | 3 | 4 | 1 | 48 | 279.452 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.15 | 7.22 | -106.72 | 4 | 4 | 2 | 50 | 280.46 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
