UCSF

ZINC23041875

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 30 No

Popular Name: N-[4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]-4-(1,3-dithian-2-yl)benzamide N-[4-[(4-allyl-5-thioxo-1H-1,2,4…

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) 3.47 13.38 -19.25 2 6 0 76 475.69 7 ↓
Hi High (pH 8-9.5) 4.26 12.32 -102 0 6 -2 79 473.674 7 ↓
Mid Mid (pH 6-8) 4.20 13.22 -53.42 1 6 -1 73 474.682 7 ↓

Activity (Go SEA)

Rings

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

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