UCSF

ZINC69945416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 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) 0.69 1.48 -44.5 2 4 1 59 248.368 1
Hi High (pH 8-9.5) 0.69 -0.61 -10.84 1 4 0 58 247.36 1

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

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