| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 20 | Yes |
Popular Name: 2-methyl-2-(methylamino)-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]propan-1-one 2-methyl-2-(methylamino)-1-[4-(2…
| 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) | 1.72 | 5.6 | -43.27 | 2 | 4 | 1 | 40 | 296.46 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 5.36 | -7.72 | 1 | 4 | 0 | 36 | 295.452 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 7.26 | -92.02 | 3 | 4 | 2 | 41 | 297.468 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
