| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2012 | 9 | No |
Popular Name: 3,4,5-trimethylthiophen-2-amine 3,4,5-trimethylthiophen-2-amine
Find On: PubMed — Wikipedia — Google
CAS Number: 939373-95-2
| 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) | 2.36 | 3.77 | -5.03 | 1 | 1 | 0 | 24 | 141.239 | 0 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 3.46 | -3.47 | 2 | 1 | 0 | 26 | 141.239 | 0 | ↓ |
| Mid Mid (pH 6-8) | 2.36 | 3.8 | -5.8 | 1 | 1 | 0 | 24 | 141.239 | 0 | ↓ |
| 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.
