UCSF

ZINC41584742

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 No

Popular Name: [(2E)-6-hydroxy-4-methyl-2-[(4-nitrophenyl)methylene]-3-oxo-benzofuran-7-yl]methylBLAHone [(2E)-6-hydroxy-4-methyl-2-[(4-n…

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) 3.79 12.79 -59.36 2 9 1 123 500.531 4 ↓
Hi High (pH 8-9.5) 3.79 11.42 -58.59 0 9 -1 124 498.515 4 ↓
Mid Mid (pH 6-8) 3.79 10.66 -18.02 1 9 0 122 499.523 4 ↓
Mid Mid (pH 6-8) 3.79 13.55 -54.56 1 9 0 126 499.523 4 ↓

Activity (Go SEA)

Rings

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

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