UCSF

ZINC53610180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 1.41 3.5 -38.33 3 6 1 86 281.38 7
Hi High (pH 8-9.5) 1.41 1.26 -10.99 2 6 0 85 280.372 7

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

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