UCSF

ZINC41055601

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 26 Yes

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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) 2.37 8.82 -14.94 2 5 0 75 365.389 3
Hi High (pH 8-9.5) 2.44 8.24 -58.98 1 5 -1 81 364.381 3
Mid Mid (pH 6-8) 3.67 8.58 -46.38 1 5 -1 78 364.381 3

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