| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 15 | Yes |
Popular Name: methyl({[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]methyl})amine methyl({[4-(1H-1,2,4-triazol-1-y…
Find On: PubMed — Wikipedia — Google
CAS Number: 871825-55-7
| 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) | 0.61 | 7.49 | -43.19 | 2 | 4 | 1 | 47 | 203.269 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.61 | 6.05 | -8.5 | 1 | 4 | 0 | 43 | 202.261 | 4 | ↓ |
| 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.
