UCSF

ZINC41620016

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 5-methyl-4-oxo-2-(piperazin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic 5-methyl-4-oxo-2-(piperazin-1-yl…

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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) 0.14 3.11 -85.77 3 7 0 106 308.363 3 ↓
Hi High (pH 8-9.5) 0.14 1.76 -54.54 2 7 -1 101 307.355 3 ↓

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

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