UCSF

ZINC64857811

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2011 34 Yes

CAS Number: 108321-42-2

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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) -5.17 -14.57 -297.03 17 14 4 258 500.59 6
Hi High (pH 8-9.5) -5.17 -16.65 -8.96 13 14 0 248 496.558 6
Hi High (pH 8-9.5) -5.17 -15.48 -53.88 14 14 1 250 497.566 6
Mid Mid (pH 6-8) -5.17 -14.05 -175.3 16 14 3 256 499.582 6
Mid Mid (pH 6-8) -5.17 -14.94 -206.8 16 14 3 256 499.582 6

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

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