| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 21 | Yes |
Popular Name: 3-tert-butyl-5-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)-1,2,4-oxadiazole 3-tert-butyl-5-(2,3,4,5-tetrahyd…
| 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) | 2.62 | 5.74 | -50.2 | 2 | 5 | 1 | 59 | 287.387 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 4.49 | -8.03 | 1 | 5 | 0 | 54 | 286.379 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
