UCSF

ZINC20358399

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 32 Yes

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

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) 2.71 4.92 -61.07 3 8 1 97 441.504 7 ↓
Hi High (pH 8-9.5) 2.71 3.03 -49.47 1 8 -1 98 439.488 7 ↓
Mid Mid (pH 6-8) 2.71 5.37 -41.87 2 8 0 100 440.496 7 ↓
Mid Mid (pH 6-8) 2.71 2.58 -17.71 2 8 0 96 440.496 7 ↓

Activity (Go SEA)

Rings

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

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