UCSF

ZINC39889919

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.64 13.15 -19.77 0 7 0 84 483.911 3
Lo Low (pH 4.5-6) 4.64 13.67 -35.86 1 7 1 85 484.919 3

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