| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 5th, 2011 | 20 | Yes |
Popular Name: (2S)-N-ethyl-3-methyl-N-[[5-(4-pyridyl)pyrazol-1-yl]methyl]butan-2-amine (2S)-N-ethyl-3-methyl-N-[[5-(4-p…
None
None
| 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) | 2.62 | 7.32 | -5.48 | 0 | 4 | 0 | 34 | 272.396 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 8.6 | -34.06 | 1 | 4 | 1 | 35 | 273.404 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.62 | 9.08 | -89 | 2 | 4 | 2 | 36 | 274.412 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
