UCSF

ZINC07591067

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2006 22 No

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Annotations

Vendors

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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) 2.52 7.91 -48.62 2 5 1 54 375.262 7
Hi High (pH 8-9.5) 2.52 5.69 -14.44 1 5 0 53 374.254 7
Hi High (pH 8-9.5) 2.34 6.99 -34.67 1 5 0 60 374.254 7

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