UCSF

ZINC41585986

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 Yes

Popular Name: 3-(2-bromophenoxy)-7-hydroxy-2-methyl-8-[[4-(2-pyridyl)piperazin-1-yl]methyl]chromen-4-one 3-(2-bromophenoxy)-7-hydroxy-2-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) 4.87 10.3 -40.14 2 7 1 80 523.407 5 ↓
Hi High (pH 8-9.5) 4.87 10.73 -45.1 0 7 -1 82 521.391 5 ↓
Mid Mid (pH 6-8) 4.87 9.96 -13.56 1 7 0 79 522.399 5 ↓
Mid Mid (pH 6-8) 4.87 12.18 -55.17 2 7 1 80 523.407 5 ↓
Mid Mid (pH 6-8) 4.87 12.53 -113.71 3 7 2 81 524.415 5 ↓

Activity (Go SEA)

Rings

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

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