UCSF

ZINC66442639

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 11 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) -0.91 3.17 -43.9 3 6 -1 108 153.121 2
Lo Low (pH 4.5-6) -0.91 3.59 -43.46 4 6 0 109 154.129 2

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

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