UCSF

ZINC69857610

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 15 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) 0.44 1.98 -8.32 1 4 0 55 211.261 1
Hi High (pH 8-9.5) 0.62 -0.54 -40.74 0 4 -1 62 210.253 1

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

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