UCSF

ZINC41584746

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

Popular Name: [(2Z)-6-hydroxy-4-methyl-2-[(3-methyl-2-thienyl)methylene]-3-oxo-benzofuran-7-yl]methylBLAHone [(2Z)-6-hydroxy-4-methyl-2-[(3-m…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 4.10 12.16 -58.32 2 6 1 77 475.59 3 ↓
Hi High (pH 8-9.5) 4.10 10.59 -45.72 0 6 -1 79 473.574 3 ↓
Mid Mid (pH 6-8) 4.10 12.74 -33.74 1 6 0 80 474.582 3 ↓
Mid Mid (pH 6-8) 4.10 10.01 -20.96 1 6 0 76 474.582 3 ↓

Activity (Go SEA)

Rings

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

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