UCSF

ZINC71489133

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 29 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) 5.52 12.32 -11.82 1 4 0 47 424.331 5
Lo Low (pH 4.5-6) 5.52 13.64 -34.81 2 4 1 48 425.339 5

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

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