UCSF

ZINC39435384

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2010 32 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) -0.16 -6.19 -17.83 7 11 0 186 450.396 4
Hi High (pH 8-9.5) -0.16 -5.2 -64.17 6 11 -1 189 449.388 4

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

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