UCSF

ZINC20268402

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 12 Yes

Popular Name: 1-(3-Thienylmethyl)piperazine 1-(3-Thienylmethyl)piperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1211256-64-2 , 130288-91-4 , 6803-90-3

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) 0.63 2.35 -39.69 2 2 1 20 183.3 2 ↓
Hi High (pH 8-9.5) 0.63 0.94 -2.67 1 2 0 15 182.292 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 20 - 22 Enamine Building Blocks
MP 20...22 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

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