UCSF

ZINC96331625

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2014 23 No

CAS Number: 174794-02-6

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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) -0.82 8.53 -90.92 3 5 2 48 330.457 0
Hi High (pH 8-9.5) -0.82 7.19 -23.76 1 5 0 50 328.441 0
Mid Mid (pH 6-8) -0.82 6.17 -21.66 2 5 1 47 329.449 0

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