UCSF

ZINC41584956

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 Yes

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

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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) 2.83 8.74 -42.56 2 6 1 75 393.463 5 ↓
Hi High (pH 8-9.5) 2.83 7.02 -36.12 0 6 -1 77 391.447 5 ↓
Mid Mid (pH 6-8) 2.83 8.71 -45.83 2 6 1 75 393.463 5 ↓
Mid Mid (pH 6-8) 2.83 6.46 -11.65 1 6 0 74 392.455 5 ↓

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