| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 15 | Yes |
Popular Name: (1S)-2-(azepan-1-yl)-1-cyclopropyl-N-ethyl-ethanamine (1S)-2-(azepan-1-yl)-1-cycloprop…
| 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) | 2.77 | 8.39 | -108.23 | 3 | 2 | 2 | 21 | 212.381 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 7.28 | -29.49 | 2 | 2 | 1 | 16 | 211.373 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 6.78 | -35 | 2 | 2 | 1 | 20 | 211.373 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
