UCSF

ZINC66167167

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 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) 4.11 8.13 -22.18 0 9 0 104 470.791 7
Mid Mid (pH 6-8) 4.11 9.24 -44.78 1 9 1 105 471.799 7

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

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