UCSF

ZINC35004172

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 37 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) 4.23 13.13 -19.44 0 6 0 53 527.999 9
Mid Mid (pH 6-8) 4.23 15.37 -81.01 1 6 1 54 529.007 9

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