UCSF

ZINC46671887

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2010 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) 4.03 3.82 -15.1 2 8 0 91 408.474 8
Mid Mid (pH 6-8) 4.03 6.64 -58.04 3 8 1 92 409.482 8

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

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