| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 14 | Yes |
Popular Name: (1S)-2-(azepan-1-yl)-1-cyclopropyl-N-methyl-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) | 2.40 | 7.32 | -109.36 | 3 | 2 | 2 | 21 | 198.354 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 7.56 | -32.89 | 2 | 2 | 1 | 20 | 197.346 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 6.38 | -28.59 | 2 | 2 | 1 | 16 | 197.346 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
