UCSF

ZINC31596487

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 6.04 18.67 -44.89 1 4 1 33 449.622 8
Mid Mid (pH 6-8) 6.04 16.49 -8.02 0 4 0 32 448.614 8

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

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