UCSF

ZINC71513979

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 21 No

Popular Name: 3-[(4-bromophenyl)methyl]-6-ethyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 3-[(4-bromophenyl)methyl]-6-ethy…

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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) 4.00 10.29 -7.89 1 3 0 38 381.32 3 ↓
Mid Mid (pH 6-8) 4.45 9.04 -33.82 0 3 -1 41 380.312 3 ↓

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

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