| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | Yes |
Popular Name: 2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-1,3,4-thiadiazole 2-(2,3,4,5-tetrahydro-1,4-benzod…
| 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) | 1.83 | 5.57 | -46.72 | 2 | 4 | 1 | 46 | 233.32 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 4.3 | -8.3 | 1 | 4 | 0 | 41 | 232.312 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
