| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 18 | Yes |
Popular Name: 3-(methylsulfanyl)-2-phenylquinoline 3-(methylsulfanyl)-2-phenylquino…
Find On: PubMed — Wikipedia — Google
CAS Number: 400079-67-6
| 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) | 4.20 | 0.54 | -8.44 | 0 | 1 | 0 | 12 | 251.354 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.20 | 0.66 | -23.74 | 1 | 1 | 1 | 14 | 252.362 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 102 - 104 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
