| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 17 | Yes |
Popular Name: (2R)-2-(ethylamino)-5-(o-tolyl)-1,2-dihydro-1,3,5-triazin-6-one (2R)-2-(ethylamino)-5-(o-tolyl)-…
| 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) | 1.93 | 3.93 | -7.02 | 2 | 5 | 0 | 57 | 232.287 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.93 | 5.38 | -39.1 | 3 | 5 | 1 | 61 | 233.295 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4198409; US4203985 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
