UCSF

ZINC10436217

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2007 13 Yes

Popular Name: Isopropyl-(4-methylsulfanyl-benzyl)-amine Isopropyl-(4-methylsulfanyl-benz…

Find On: PubMed — Wikipedia — Google

CAS Number: 137379-57-8

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) 2.60 -0.06 -38.79 2 1 1 16 196.339 4 ↓

Activity (Go SEA)

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