| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 23 | Yes |
Popular Name: (2S)-N-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine (2S)-N-[(1-allyl-3-methyl-pyrazo…
| 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) | 3.45 | 9.44 | -48.1 | 2 | 4 | 1 | 44 | 314.453 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.45 | 8.4 | -7.61 | 1 | 4 | 0 | 39 | 313.445 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
