| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 18 | Yes |
Popular Name: 1H-pyrrol-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone 1H-pyrrol-2-yl(2,3,4,5-tetrahydr…
| 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) | 1.60 | 5.8 | -47.73 | 3 | 4 | 1 | 53 | 242.302 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.60 | 4.55 | -10.01 | 2 | 4 | 0 | 48 | 241.294 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
