| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 14th, 2011 | 23 | Yes |
Popular Name: 1-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-4-(2-thienyl)butane-1,4-dione 1-(1-methyl-3,5-dihydro-2H-1,4-b…
| 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) | 2.57 | 9.71 | -8.22 | 0 | 4 | 0 | 41 | 328.437 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.57 | 9.76 | -38.64 | 1 | 4 | 1 | 42 | 329.445 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
