UCSF

ZINC41585209

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-phenylpiperazin-1-yl)methyl]chromen-4-one 3-chloro-7-hydroxy-8-[(4-phenylp…

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Download: MOL2 SDF SMILES Flexibase

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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) 3.71 5.97 -10.5 1 5 0 57 370.836 3 ↓
Hi High (pH 8-9.5) 3.71 6.73 -40 0 5 -1 60 369.828 3 ↓
Mid Mid (pH 6-8) 3.71 8.2 -54.76 2 5 1 58 371.844 3 ↓

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

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