UCSF

ZINC39265012

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 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) 1.45 9.65 -13.99 1 11 0 117 467.53 7
Lo Low (pH 4.5-6) 1.45 10 -40.07 2 11 1 118 468.538 7

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