| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 17th, 2005 | 23 | Yes |
Popular Name: MFCD02047690 MFCD02047690
Find On: PubMed — Wikipedia — Google
CAS Number: 332358-90-4
2-(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-yl-methylsulfanyl)-benzoic acid
2-(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-ylmethylsulfanyl)-benzoic acid
| 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) | 4.23 | 10.72 | -59.05 | 0 | 3 | -1 | 52 | 324.425 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.