UCSF

ZINC33819074

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 No

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) 5.30 13.43 -40.92 1 9 1 90 498.991 7
Mid Mid (pH 6-8) 5.30 12.33 -21.27 0 9 0 89 497.983 7
Mid Mid (pH 6-8) 5.30 14.09 -92.14 2 9 2 91 499.999 7

Activity (Go SEA)

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