UCSF

ZINC20130016

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 Yes

Popular Name: 2-ethyl-7-(piperazin-1-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]pyrimidin-5-one 2-ethyl-7-(piperazin-1-ylmethyl)…

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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) 0.08 3.02 -53.34 2 6 1 67 280.377 3 ↓
Hi High (pH 8-9.5) 0.08 1.61 -14.43 1 6 0 63 279.369 3 ↓

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

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