UCSF

ZINC38199772

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 33 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) 5.54 10.66 -45.66 2 6 1 73 464.46 6
Mid Mid (pH 6-8) 5.54 11.23 -26.79 1 6 0 76 463.452 6

Activity (Go SEA)

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