UCSF

ZINC39674998

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 32 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) 1.93 7.86 -62.55 3 7 1 84 479.432 5
Lo Low (pH 4.5-6) 1.93 8 -103.97 4 7 2 85 480.44 5

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