UCSF

ZINC09707399

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 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) 3.75 -2.6 -18.27 1 9 0 126 470.894 5
Hi High (pH 8-9.5) 3.75 -2.02 -44.48 0 9 -1 128 469.886 5

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

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