UCSF

ZINC71404493

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 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) -2.93 -8.32 -52.1 6 11 -1 189 389.333 5
Lo Low (pH 4.5-6) -2.93 -10.26 -13.95 7 11 0 186 390.341 5

Activity (Go SEA)

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