| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2011 | 21 | Yes |
Popular Name: (2S)-2-methyl-1-[[5-(pyrrolidin-1-ylmethyl)-2-thienyl]methyl]-1,4-diazepan-5-one (2S)-2-methyl-1-[[5-(pyrrolidin-…
| 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) | 1.65 | 7.88 | -93.08 | 3 | 4 | 2 | 38 | 309.479 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.65 | 3.48 | -8.53 | 1 | 4 | 0 | 36 | 307.463 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 5.93 | -39.59 | 2 | 4 | 1 | 37 | 308.471 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-[[5-(pyrrolidinomethyl)-2-thienyl]methyl]-1,4-diazepan-5-one](http://zinc12.docking.org/img/rings/408188.gif)