UCSF

ZINC04381958

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 24 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) 5.09 10.54 -16.26 1 4 0 46 362.26 3
Mid Mid (pH 6-8) 5.09 10.98 -33.61 2 4 1 48 363.268 3

Activity (Go SEA)

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