UCSF

ZINC04819133

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 14 No

Popular Name: 1-methyl-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 1-methyl-3-sulfanyl-5,6,7,8-tetr…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.69 6.34 -49.78 0 2 -1 37 203.29 0 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )