UCSF

ZINC59817163

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 27 No

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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) 4.03 7 -15.09 2 7 0 100 367.405 9
Hi High (pH 8-9.5) 4.22 4.62 -46.73 1 7 -1 107 366.397 9

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

No pre-computed analogs available. Try a structural similarity search.