UCSF

ZINC39884087

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 33 No

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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) -0.04 6.75 -23.95 2 10 0 136 487.563 3
Mid Mid (pH 6-8) -0.28 5.27 -57.55 1 10 -1 139 486.555 4
Mid Mid (pH 6-8) -0.28 4.96 -54.05 1 10 -1 139 486.555 4
Mid Mid (pH 6-8) -0.28 5.04 -54.11 1 10 -1 139 486.555 4
Mid Mid (pH 6-8) -0.28 5.08 -66.82 1 10 -1 139 486.555 4
Mid Mid (pH 6-8) -0.28 5.16 -66.84 1 10 -1 139 486.555 4
Mid Mid (pH 6-8) -0.28 5.42 -55.48 1 10 -1 139 486.555 4
Mid Mid (pH 6-8) -0.28 5.5 -55.38 1 10 -1 139 486.555 4
Mid Mid (pH 6-8) -0.28 5.35 -57.42 1 10 -1 139 486.555 4

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