UCSF

ZINC40056401

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) 5.98 13.92 -12.34 0 6 0 73 474.944 5
Mid Mid (pH 6-8) 5.98 14.29 -33.37 1 6 1 74 475.952 5

Activity (Go SEA)

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