UCSF

ZINC00416312

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 Yes

Popular Name: 2-[[6-chloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-1-ium-3-yl]amino]acetic-acid-ethyl-ester 2-[[6-chloro-2-(4-hydroxyphenyl)…

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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) 3.34 8.13 -32.42 3 6 1 77 346.794 6 ↓
Mid Mid (pH 6-8) 3.34 7.74 -10.52 2 6 0 76 345.786 6 ↓

Activity (Go SEA)

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