UCSF

ZINC08969450

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 28 No

Popular Name: 3-(4-chlorophenyl)-6-hydroxy-5-[(4-hydroxy-3,5-dimethoxy-phenyl)methylene]pyrimidine-2,4-dione 3-(4-chlorophenyl)-6-hydroxy-5-[…

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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) 2.13 2.14 -44.98 1 8 -1 114 401.782 4 ↓
Hi High (pH 8-9.5) 2.13 3.17 -108.36 0 8 -2 117 400.774 4 ↓
Lo Low (pH 4.5-6) 1.67 4.74 -14.23 2 8 0 111 402.79 4 ↓

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