UCSF

ZINC58559261

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 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) 2.68 6.76 -9.26 1 5 0 45 345.365 5
Lo Low (pH 4.5-6) 2.68 8.07 -52.16 2 5 1 46 346.373 5

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

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