UCSF

ZINC40024488

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 27 No

Popular Name: (2Z,5Z)-2-(3,3-dimethyl-2-oxo-butylidene)-5-[[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylene]thiazoli (2Z,5Z)-2-(3,3-dimethyl-2-oxo-bu…

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) 2.86 6.82 -26.24 1 6 0 85 383.473 6 ↓
Mid Mid (pH 6-8) 3.56 4.83 -50.19 1 6 -1 91 382.465 5 ↓

Activity (Go SEA)

Rings

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

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