UCSF

ZINC69737392

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 22 No

Download: MOL2 SDF SMILES Flexibase

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) 3.74 7.45 -36.86 3 5 1 72 325.816 6
Mid Mid (pH 6-8) 3.74 6.32 -7.78 2 5 0 67 324.808 6

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

No pre-computed analogs available. Try a structural similarity search.