| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 21 | Yes |
Popular Name: 2-(ethylamino)-2-methyl-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]propan-1-one 2-(ethylamino)-2-methyl-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) | 2.09 | 6.45 | -41.05 | 2 | 4 | 1 | 40 | 310.487 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.09 | 6.36 | -7.36 | 1 | 4 | 0 | 36 | 309.479 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.09 | 8.07 | -91.72 | 3 | 4 | 2 | 41 | 311.495 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
