UCSF

ZINC67740605

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 28 No

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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) 2.79 9.96 -56.71 1 6 1 54 392.564 5
Lo Low (pH 4.5-6) 2.79 12.18 -109.3 2 6 2 55 393.572 5

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

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