UCSF

ZINC35565038

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 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
Ref Reference (pH 7) -2.01 -6.28 -42.24 10 10 1 206 455.871 1
Hi High (pH 8-9.5) -2.01 -5.77 -17.58 9 10 0 204 454.863 1
Hi High (pH 8-9.5) -2.01 -5.29 -72.19 9 10 0 209 454.863 1
Hi High (pH 8-9.5) -1.43 -6.72 -58.48 10 10 0 212 454.863 1

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

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