UCSF

ZINC40232883

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 27 Yes

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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) 5.54 11.74 -13.41 0 4 0 36 378.859 6
Lo Low (pH 4.5-6) 5.54 12.44 -33.82 1 4 1 38 379.867 6

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

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