UCSF

ZINC57929223

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 26 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) 0.99 3.78 -20.53 2 9 0 113 395.466 5
Hi High (pH 8-9.5) 1.17 2.26 -53.81 1 9 -1 120 394.458 5

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

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