UCSF

ZINC35636932

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 37 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) 3.33 9.91 -28.93 2 8 0 95 513.52 9
Lo Low (pH 4.5-6) 3.33 10.26 -55.07 3 8 1 96 514.528 9

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

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