UCSF

ZINC05294023

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 24 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) 2.84 3.23 -17.81 2 6 0 88 348.424 6
Hi High (pH 8-9.5) 2.84 2.98 -49.74 1 6 -1 91 347.416 6
Hi High (pH 8-9.5) 2.84 4.16 -62.27 1 6 -1 91 347.416 6
Lo Low (pH 4.5-6) 2.84 2.49 -42.67 3 6 1 90 349.432 6
Lo Low (pH 4.5-6) 2.84 3.69 -14.68 3 6 0 90 349.432 6

Activity (Go SEA)

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