UCSF

ZINC37818275

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -1.27 -1.74 -53.02 5 7 1 106 269.325 2
Hi High (pH 8-9.5) -1.09 -4.37 -73.48 4 7 0 112 268.317 2
Hi High (pH 8-9.5) -1.27 -2.06 -12.62 4 7 0 105 268.317 2

Activity (Go SEA)

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