UCSF

ZINC28627909

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 33 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) 2.78 10.12 -22.15 1 8 0 89 466.563 7
Hi High (pH 8-9.5) 2.78 10.91 -63.05 0 8 -1 92 465.555 7

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

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