UCSF

ZINC37818271

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) -2.45 -3.45 -56.72 5 7 1 106 227.244 1
Hi High (pH 8-9.5) -2.45 -3.85 -14 4 7 0 105 226.236 1
Hi High (pH 8-9.5) -2.27 -6.5 -45.72 3 7 -1 111 225.228 1

Activity (Go SEA)

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