| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 20 | Yes |
Popular Name: N-[[(2S,3S)-1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)azepan-3-yl]methyl]ethanamine N-[[(2S,3S)-1-methyl-2-(1,3,5-tr…
| 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) | 1.83 | 5.47 | -36.59 | 2 | 4 | 1 | 38 | 279.452 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 7.12 | -97.08 | 3 | 4 | 2 | 39 | 280.46 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
