| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 15 | No |
Popular Name: (1S)-1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine (1S)-1-cyclopropyl-N-[2-(1,4-thi…
| 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) | 1.99 | 5.66 | -40.36 | 2 | 2 | 1 | 20 | 229.413 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 7.67 | -117.75 | 3 | 2 | 2 | 21 | 230.421 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Cyclopropylmethyl-[2-(1,4-thiazepan-4-yl)ethyl]amine](http://zinc12.docking.org/img/rings/62150.gif)