UCSF

ZINC46672158

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2010 29 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) 4.01 8.16 -12.32 0 6 0 62 431.323 4
Mid Mid (pH 6-8) 4.01 10.42 -53.49 1 6 1 64 432.331 4

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

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