UCSF

ZINC41585957

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 Yes

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

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Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) 2.81 5.77 -39.43 2 6 1 71 372.832 3 ↓
Hi High (pH 8-9.5) 2.81 6.23 -41.71 0 6 -1 73 370.816 3 ↓
Mid Mid (pH 6-8) 2.81 7.7 -53.77 2 6 1 71 372.832 3 ↓
Mid Mid (pH 6-8) 2.81 8.02 -113.1 3 6 2 72 373.84 3 ↓
Mid Mid (pH 6-8) 2.81 5.47 -11.79 1 6 0 70 371.824 3 ↓

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

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