UCSF

ZINC57911165

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 26 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) 1.56 3.04 -16.34 2 6 0 65 368.428 7
Lo Low (pH 4.5-6) 1.56 5.18 -45.02 3 6 1 66 369.436 7

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

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