| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 19 | Yes |
Popular Name: (5-methylisoxazol-4-yl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (5-methylisoxazol-4-yl)-(2,3,4,5…
| 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) | 1.08 | 5.05 | -47.68 | 2 | 5 | 1 | 63 | 258.301 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 3.8 | -7.26 | 1 | 5 | 0 | 58 | 257.293 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
