UCSF

ZINC55422144

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 19 Yes

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) 0.97 4.66 -44.55 2 5 1 59 280.373 3
Hi High (pH 8-9.5) 0.97 2.8 -35.05 2 5 1 59 280.373 3
Hi High (pH 8-9.5) 0.97 2.4 -12.55 1 5 0 58 279.365 3

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

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