UCSF

ZINC23936075

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2009 31 Yes

Popular Name: 6-(4-chlorophenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-thieno[2,3-e]pyrimidin-4-one 6-(4-chlorophenyl)-2-[[4-(furan-…

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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) 3.89 7.63 -52.32 1 7 0 87 454.939 4 ↓
Hi High (pH 8-9.5) 3.89 5.43 -52.91 0 7 -1 86 453.931 4 ↓
Mid Mid (pH 6-8) 3.43 9.54 -84.3 2 7 1 84 455.947 4 ↓
Mid Mid (pH 6-8) 3.43 8.16 -18.39 1 7 0 82 454.939 4 ↓

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Rings

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

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