UCSF

ZINC69233854

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 19 Yes

Popular Name: 2-[(2,3,4-trimethylpyrrol-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2,3,4-trimethylpyrrol-1-yl)m…

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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) 2.40 7.56 -13.92 1 4 0 51 273.361 2 ↓
Mid Mid (pH 6-8) 2.86 5.32 -48.63 0 4 -1 54 272.353 2 ↓

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

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