UCSF

ZINC33922946

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 26 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) 2.54 1.35 -44.55 1 7 -1 104 371.756 3
Hi High (pH 8-9.5) 2.54 2.13 -93.2 0 7 -2 107 370.748 3
Mid Mid (pH 6-8) 2.08 4.02 -11.1 2 7 0 101 372.764 3

Activity (Go SEA)

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