UCSF

ZINC42259829

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 21 Yes

Popular Name: 2-[[2-(4-chlorophenyl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[2-(4-chlorophenyl)ethylamino…

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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) 2.89 5.9 -12.82 2 4 0 58 319.817 5 ↓
Mid Mid (pH 6-8) 2.89 5.35 -22.11 2 4 0 58 319.817 5 ↓
Lo Low (pH 4.5-6) 3.35 4.63 -54.36 2 4 0 65 319.817 5 ↓
Lo Low (pH 4.5-6) 2.89 7.26 -63.33 3 4 1 62 320.825 5 ↓

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

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