UCSF

ZINC64976589

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 23 Yes

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) 2.43 0.74 -13.39 3 7 0 104 353.787 4
Mid Mid (pH 6-8) 2.40 1.5 -46.57 2 7 1 103 352.779 4
Mid Mid (pH 6-8) 2.43 1.17 -45.32 2 7 -1 106 352.779 4

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

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