UCSF

ZINC33902763

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 19 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) 0.19 0.49 -10.07 7 8 0 145 285.739 3
Hi High (pH 8-9.5) 0.19 0.79 -41.62 6 8 -1 143 284.731 3
Lo Low (pH 4.5-6) 0.32 1.71 -29.02 8 8 1 145 286.747 4

Activity (Go SEA)

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