UCSF

ZINC69944800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 12 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) 1.92 4.77 -32.95 1 2 1 17 170.276 2
Hi High (pH 8-9.5) 1.92 2.93 -3.09 0 2 0 16 169.268 2

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

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