UCSF

ZINC66119177

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 20 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) 1.58 6.42 -13.72 1 4 0 45 267.332 2
Lo Low (pH 4.5-6) 1.58 6.95 -44.22 2 4 1 46 268.34 2

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

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