UCSF

ZINC54700994

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 14 Yes

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) 1.49 3.92 -40.43 3 3 1 42 194.233 2
Lo Low (pH 4.5-6) 1.49 4.27 -91.85 4 3 2 43 195.241 2

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

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