UCSF

ZINC13280640

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 31 Yes

Popular Name: 2-[3-(4-chlorophenyl)-5-[(1S)-1-methyl-2-[(2R)-2-methylindolin-1-yl]-2-oxo-ethyl]sulfanyl-1,2,4-tria 2-[3-(4-chlorophenyl)-5-[(1S)-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) 4.15 13.13 -51.54 0 7 -1 91 455.947 6 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.