UCSF

ZINC46132181

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 19 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) 0.88 4.11 -25.12 1 6 0 75 296.377 4
Hi High (pH 8-9.5) 0.69 2.8 -55.38 0 6 -1 82 295.369 4

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

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