UCSF

ZINC41681515

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 Yes

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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) 4.27 8.75 -47.95 2 4 0 57 284.787 7
Hi High (pH 8-9.5) 4.27 6.83 -48 1 4 -1 55 283.779 7

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