UCSF

ZINC40056423

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 34 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) 5.74 13.68 -10.35 0 6 0 73 472.928 5
Mid Mid (pH 6-8) 5.74 14.06 -33.67 1 6 1 74 473.936 5

Activity (Go SEA)

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