UCSF

ZINC35017739

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 34 No

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) -1.47 -1.42 -15.02 2 12 0 156 472.433 5
Mid Mid (pH 6-8) -1.47 -0.79 -52.03 1 12 -1 159 471.425 5
Lo Low (pH 4.5-6) -1.47 0.29 -44.13 3 12 1 158 473.441 5

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