| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 20 | Yes |
Popular Name: (4,5-dichloro-1H-pyrrol-2-yl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (4,5-dichloro-1H-pyrrol-2-yl)-(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) | 3.01 | 6.71 | -47.5 | 3 | 4 | 1 | 53 | 311.192 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 5.45 | -6.29 | 2 | 4 | 0 | 48 | 310.184 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 6.63 | -51.16 | 2 | 4 | 0 | 51 | 310.184 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
