UCSF

ZINC41585977

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[[4-(2-pyridyl)piperazin-1-yl]methyl]chromen-4-one 7-hydroxy-3-(4-methoxyphenoxy)-8…

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) 3.94 8.25 -41.47 2 8 1 90 460.51 6 ↓
Hi High (pH 8-9.5) 3.94 8.68 -44.26 0 8 -1 91 458.494 6 ↓
Mid Mid (pH 6-8) 3.94 7.9 -16.2 1 8 0 88 459.502 6 ↓
Mid Mid (pH 6-8) 3.94 10.13 -56.02 2 8 1 89 460.51 6 ↓
Mid Mid (pH 6-8) 3.94 10.47 -112.97 3 8 2 91 461.518 6 ↓

Activity (Go SEA)

Rings

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

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