UCSF

ZINC71495226

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 10 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) 0.21 0.79 -44.25 1 5 -1 69 134.122 1
Lo Low (pH 4.5-6) 0.21 0.74 -8.39 2 5 0 70 135.13 1

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

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