| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 21 | Yes |
Popular Name: (4-chloro-1-ethyl-pyrrol-2-yl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (4-chloro-1-ethyl-pyrrol-2-yl)-(…
| 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) | 2.65 | 8.1 | -44.64 | 2 | 4 | 1 | 42 | 304.801 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.65 | 6.85 | -7.3 | 1 | 4 | 0 | 37 | 303.793 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
