UCSF

ZINC34051911

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2009 20 No

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) 2.02 2.41 -53.73 2 6 -1 98 299.372 9
Lo Low (pH 4.5-6) 2.02 2.24 -20.99 3 6 0 95 300.38 9

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

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