UCSF

ZINC54833828

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 22 Yes

Popular Name: 1-[(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)methyl]-1,2,4-triazole-3-carboni 1-[(4-oxo-5,6,7,8-tetrahydro-3H-…

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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) 1.00 7.53 -24.19 1 7 0 100 312.358 2 ↓
Hi High (pH 8-9.5) 1.46 4.97 -50.63 0 7 -1 103 311.35 2 ↓

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

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