| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 21 | Yes |
Popular Name: 2-[4-(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(4,5-dichloro-1-methyl-pyrr…
| 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) | 0.90 | 4.61 | -42.78 | 3 | 6 | 1 | 73 | 334.227 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 2.95 | -10.14 | 2 | 6 | 0 | 72 | 333.219 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
