UCSF

ZINC86860249

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 28 No

CAS Number: 751-97-3

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Annotations

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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) 0.12 4.85 -64.69 3 7 0 119 385.416 1
Hi High (pH 8-9.5) 1.15 1.62 -128.44 2 7 -2 124 383.4 1
Mid Mid (pH 6-8) 0.12 2.79 -14.84 2 7 0 118 384.408 1

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