UCSF

ZINC24570301

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2009 31 Yes

Popular Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ac N-(3-cyano-1-phenyl-4,5,6,7-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) 2.80 14.24 -21.1 1 8 0 101 429.509 5 ↓

Activity (Go SEA)

Rings

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

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