| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2010 | 18 | Yes |
Popular Name: benzyl 3-(aminomethyl)benzoate hydrochloride benzyl 3-(aminomethyl)benzoate h…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1251924-33-0 , 269071-82-1
| 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) | 2.86 | 7.14 | -49.75 | 3 | 3 | 1 | 54 | 242.298 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.86 | 6.73 | -7.38 | 2 | 3 | 0 | 52 | 241.29 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
