UCSF

ZINC34413807

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.22 0.86 -14.22 3 5 0 89 178.147 0
Lo Low (pH 4.5-6) -0.22 -0.46 -14.78 4 5 0 92 179.155 0

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

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