UCSF

ZINC48954702

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) -0.94 -2.37 -23.46 3 9 0 122 292.346 2
Hi High (pH 8-9.5) -0.94 -1.88 -49.95 2 9 -1 119 291.338 2

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

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