| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2009 | 14 | Yes |
Popular Name: 5-amino-2,3,4,5-tetrahydro-1$l^{6}-benzothiepine-1,1-dione 5-amino-2,3,4,5-tetrahydro-1$l^{…
Find On: PubMed — Wikipedia — Google
CAS Number: 1094289-20-9
| 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) | -0.91 | 1.01 | -59.43 | 3 | 3 | 1 | 62 | 212.294 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.91 | 0.98 | -10.34 | 2 | 3 | 0 | 60 | 211.286 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 115 - 117 | Enamine Building Blocks |
| MP | 115...117 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
