UCSF

ZINC35641182

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 37 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 6.18 13.15 -9.56 1 8 0 88 511.663 12
Mid Mid (pH 6-8) 6.18 15.03 -44.7 2 8 1 89 512.671 12

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

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