UCSF

ZINC52518587

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 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) -0.14 -1.42 -14.3 3 8 0 105 265.273 6
Hi High (pH 8-9.5) 0.05 -4.07 -45.86 2 8 -1 111 264.265 6

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

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