UCSF

ZINC54962244

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 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) -0.60 4.18 -45.63 1 4 -1 65 237.304 2
Lo Low (pH 4.5-6) -0.60 4.67 -58.91 2 4 0 66 238.312 2

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

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