In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 13 | Yes |
Popular Name: N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine N-[(1,3,5-trimethyl-1H-pyrazol-4…
Find On: PubMed — Wikipedia — Google
CAS Number: 1152852-80-6
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) | 1.20 | 4.81 | -42.54 | 2 | 3 | 1 | 34 | 182.291 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.20 | 3.39 | -5.97 | 1 | 3 | 0 | 30 | 181.283 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |