UCSF

ZINC69232724

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 29 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) 3.96 10.32 -48.34 2 5 1 56 408.547 8
Mid Mid (pH 6-8) 3.96 7.78 -13.17 1 5 0 54 407.539 8

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

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