UCSF

ZINC00795284

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 21 Yes

Popular Name: 4-oxo-4-{[4-(piperidin-1-ylmethyl)phenyl]amino}butanoic acid 4-oxo-4-{[4-(piperidin-1-ylmethy…

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CAS Numbers: , 510764-96-2

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) 1.61 -0.15 -71.77 2 5 0 73 290.363 6 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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