UCSF

ZINC38600860

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 34 No

Popular Name: (7aR)-3-[(E)-[[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylacetyl]hydrazono]methyl]-7aH-indole-7-ca (7aR)-3-[(E)-[[2-(3,5-ditert-but…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.56 8.51 -74.89 2 7 -1 114 480.61 8 ↓

Activity (Go SEA)

Rings

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

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