UCSF

ZINC69810830

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 28 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) 1.40 4.3 -17.49 0 8 0 102 397.46 4
Lo Low (pH 4.5-6) 1.40 4.76 -46.4 1 8 1 103 398.468 4

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

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