UCSF

ZINC37326786

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 No

Popular Name: (5Z)-3-(2-aminoethyl)-5-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]thiazolidine-2,4-dione (5Z)-3-(2-aminoethyl)-5-[(3-brom…

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) 0.66 1.36 -50.04 4 6 1 96 374.236 4 ↓
Hi High (pH 8-9.5) 0.66 1.88 -40.84 2 6 -1 97 372.22 4 ↓
Hi High (pH 8-9.5) 0.66 2.27 -73.39 3 6 0 99 373.228 4 ↓
Hi High (pH 8-9.5) 0.66 0.96 -10.13 3 6 0 95 373.228 4 ↓

Activity (Go SEA)

Rings

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

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