UCSF

ZINC31555381

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 22 Yes

Popular Name: 6-Methylthio-3-methyl-1-phenyl-1,2,3,4-tetrahydro-beta-carboline hydrochloride; 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-3-methyl-6-methylthio-1-phenyl-, hydrochloride; LS-133711 6-Methylthio-3-methyl-1-phenyl-1…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.44 8.8 -5.54 2 2 0 28 308.45 2 ↓
Mid Mid (pH 6-8) 4.44 10.01 -40.95 3 2 1 32 309.458 2 ↓

Activity (Go SEA)

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