| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 18 | Yes |
Popular Name: [3-(1H-1,3-benzodiazol-1-ylmethyl)phenyl]methanamine dihydrochloride [3-(1H-1,3-benzodiazol-1-ylmethy…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1209831-39-9 , 562803-75-2
| 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) | 2.25 | 7.7 | -55.83 | 3 | 3 | 1 | 45 | 238.314 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 7.3 | -10.28 | 2 | 3 | 0 | 44 | 237.306 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 8.13 | -99.91 | 4 | 3 | 2 | 47 | 239.322 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 169 - 171 | Enamine Building Blocks |
| MP | 169...171 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
