| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: (3S)-3-methyl-1-[2-(3-thienyl)ethyl]-1,4-diazepan-2-one (3S)-3-methyl-1-[2-(3-thienyl)et…
| 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) | 1.30 | 5.64 | -45.23 | 2 | 3 | 1 | 37 | 239.364 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.30 | 4.42 | -7.59 | 1 | 3 | 0 | 32 | 238.356 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-[2-(3-thienyl)ethyl]-1,4-diazepan-2-one](http://zinc12.docking.org/img/rings/447656.gif)