UCSF

ZINC56686665

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2011 18 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) 3.10 4.07 -45.85 0 3 -1 45 276.362 3
Lo Low (pH 4.5-6) 2.64 5.99 -8.9 1 3 0 42 277.37 3

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

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