| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 19 | Yes |
Popular Name: 4-Amino-2-ethyl-1H-benzo[b][1,4]diazepine-3-carboxylic acid ethyl ester 4-Amino-2-ethyl-1H-benzo[b][1,4]…
Find On: PubMed — Wikipedia — Google
CAS Number: 726153-48-6
| 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) | 2.60 | 5.57 | -7.08 | 3 | 5 | 0 | 81 | 259.309 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 5.7 | -6.28 | 3 | 5 | 0 | 82 | 259.309 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 5.7 | -6.59 | 3 | 5 | 0 | 82 | 259.309 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.60 | 6.12 | -7.23 | 3 | 5 | 0 | 81 | 259.309 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.34 | 5.64 | -28.15 | 4 | 5 | 1 | 83 | 260.317 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 152 - 154 | Enamine Building Blocks |
| MP | 152...154 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
