UCSF

ZINC66074726

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 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) 6.35 17.43 -53.89 0 4 -1 66 473.633 10
Lo Low (pH 4.5-6) 5.77 15.98 -9.43 0 4 0 60 474.641 10

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

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