| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 22 | Yes |
Popular Name: [(2S)-1-methylpyrrolidin-2-yl]-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone [(2S)-1-methylpyrrolidin-2-yl]-[…
| 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) | 0.53 | 8.48 | -89.36 | 2 | 5 | 2 | 42 | 324.494 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.53 | 4.14 | -11.31 | 0 | 5 | 0 | 40 | 322.478 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.53 | 6.6 | -39.36 | 1 | 5 | 1 | 41 | 323.486 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Pyrrolidin-2-yl-[4-(thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone](http://zinc12.docking.org/img/rings/404216.gif)