UCSF

ZINC71257013

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2011 31 Yes

CAS Number: 57-62-5

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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
Hi High (pH 8-9.5) -1.43 -7.72 -123.8 8 10 -2 213 452.847 1
Hi High (pH 8-9.5) -1.43 -7.36 -107.13 9 10 -1 215 453.855 1
Lo Low (pH 4.5-6) -1.43 -9.17 -51.07 11 10 1 209 455.871 1

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

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