| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | Yes |
Popular Name: N-[(2S)-2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]propyl]aniline N-[(2S)-2-[(9aR)-1,3,4,5,7,8,9,9…
| 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) | 2.71 | 7.93 | -31.07 | 2 | 3 | 1 | 20 | 274.432 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 8.06 | -34.23 | 2 | 3 | 1 | 20 | 274.432 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 6.37 | -2.26 | 1 | 3 | 0 | 19 | 273.424 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 9.61 | -104.46 | 3 | 3 | 2 | 21 | 275.44 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/22747.gif)
![2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl-phenyl-amine](http://zinc12.docking.org/img/rings/313718.gif)