| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 18 | Yes |
Popular Name: 5-methyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)isoxazole 5-methyl-3-(2,3,4,5-tetrahydro-1…
| 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) | 1.76 | 6.55 | -50.38 | 2 | 4 | 1 | 46 | 244.318 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.76 | 5.29 | -9.41 | 1 | 4 | 0 | 41 | 243.31 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
