| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2012 | 15 | Yes |
Popular Name: 1-(3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethan-1-one 1-(3-methyl-2,3,4,5-tetrahydro-1…
Find On: PubMed — Wikipedia — Google
CAS Number: 1354952-84-3
| 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) | 1.82 | 5.02 | -6.94 | 1 | 3 | 0 | 32 | 204.273 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 5.5 | -40.13 | 2 | 3 | 1 | 37 | 205.281 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 141 - 143 | Enamine Building Blocks |
| MP | 141...143 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
