UCSF

ZINC03944686

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 38 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) 5.37 6.44 -18.09 2 9 0 118 541.67 14
Lo Low (pH 4.5-6) 5.37 6.72 -46.48 3 9 1 119 542.678 14

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