UCSF

ZINC69737405

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.09 6.09 -48.69 1 8 -1 108 340.344 2
Lo Low (pH 4.5-6) 1.26 6.68 -31.56 2 8 0 109 341.352 2

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

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