UCSF

ZINC01785014

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 31 Yes

Popular Name: 4-[[(7R)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl]methyl]benzoic-acid 4-[[(7R)-7-tert-butyl-4-keto-5,6…

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) 6.15 2.63 -9.13 0 6 0 74 439.581 6 ↓

Activity (Go SEA)

Rings

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

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