UCSF

ZINC54992153

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 25 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) 3.52 11.31 -43.9 1 5 1 53 340.447 6
Hi High (pH 8-9.5) 3.52 9.03 -7.62 0 5 0 52 339.439 6

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

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