UCSF

ZINC49384377

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 29 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) 2.74 8.14 -25.11 1 9 0 101 418.475 9
Hi High (pH 8-9.5) 2.55 6.81 -61.08 0 9 -1 107 417.467 9

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

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