UCSF

ZINC49917722

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 35 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) 2.38 0.33 -39.09 5 9 1 139 507.629 9
Mid Mid (pH 6-8) 2.38 -0.78 -20.39 4 9 0 138 506.621 9

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

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