UCSF

ZINC85483064

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2013 20 Yes

CAS Number: 70-00-8

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Annotations

None

Vendors

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) -0.71 -3.76 -13.4 3 7 0 105 296.201 2
Hi High (pH 8-9.5) -0.25 -6.22 -105.19 1 7 -2 110 294.185 2
Mid Mid (pH 6-8) -0.71 -3.76 -36.69 2 7 -1 107 295.193 2

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

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