UCSF

ZINC26522291

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 29 Yes

CAS Number: 1029772-96-0

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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) 4.33 11.28 -44.06 2 5 1 51 413.973 9
Hi High (pH 8-9.5) 4.33 8.74 -8.78 1 5 0 50 412.965 9
Mid Mid (pH 6-8) 4.33 12.67 -121.82 3 5 2 56 414.981 9
Mid Mid (pH 6-8) 4.33 10.14 -52.34 2 5 1 55 413.973 9

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