UCSF

ZINC53629572

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.39 10.63 -84.99 5 7 2 90 454.456 6
Mid Mid (pH 6-8) 3.39 10.17 -40.96 4 7 1 89 453.448 6

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