UCSF

ZINC23041947

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 29 No

Popular Name: (3R)-N-[4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]-1-oxo-isochroman-3-carboxami (3R)-N-[4-[(4-allyl-5-thioxo-1H-…

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) 2.07 10.85 -28.96 2 8 0 102 427.511 6 ↓
Hi High (pH 8-9.5) 2.98 9.61 -103.4 0 8 -2 105 425.495 6 ↓
Mid Mid (pH 6-8) 2.79 10.69 -57.16 1 8 -1 99 426.503 6 ↓

Activity (Go SEA)

Rings

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

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