UCSF

ZINC40177898

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 33 Yes

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Annotations

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) 3.44 6.36 -52.3 1 8 1 86 474.534 5
Mid Mid (pH 6-8) 3.44 4.16 -12.91 0 8 0 85 473.526 5

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