UCSF

ZINC20130139

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 24 Yes

Popular Name: 2-(2-hydroxy-3-methoxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one 2-(2-hydroxy-3-methoxyphenyl)-7-…

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Other Names:

MFCD01243258

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) 1.69 4.81 -45.54 4 6 1 75 346.432 2 ↓
Hi High (pH 8-9.5) 1.69 3.16 -55.19 2 6 -1 77 344.416 2 ↓
Mid Mid (pH 6-8) 1.69 2.37 -16.52 3 6 0 74 345.424 2 ↓

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

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