| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 19 | Yes |
Popular Name: (4S)-N-[2-(azepan-1-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[2-(azepan-1-yl)ethyl]-4,…
| 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) | 2.63 | 8.51 | -34.6 | 2 | 2 | 1 | 16 | 279.473 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 9.69 | -121.12 | 3 | 2 | 2 | 21 | 280.481 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 7.6 | -39.68 | 2 | 2 | 1 | 20 | 279.473 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
