| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 23 | Yes |
Popular Name: 2-[4-(3-ethylthiophene-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-ynyl-acetamide 2-[4-(3-ethylthiophene-2-carbony…
| 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) | 2.05 | 7.3 | -49.56 | 2 | 5 | 1 | 54 | 334.465 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.05 | 5.61 | -12.84 | 1 | 5 | 0 | 53 | 333.457 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
