UCSF

ZINC59064605

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2011 23 No

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Annotations

Vendors

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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) -4.35 -4.27 -352.4 3 13 -4 224 377.135 6
Mid Mid (pH 6-8) -4.35 -5.43 -222.72 4 13 -3 221 378.143 6
Lo Low (pH 4.5-6) -4.35 -6.58 -111.96 5 13 -2 218 379.151 6

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