UCSF

ZINC13719774

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 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) -0.64 -2.65 -51.57 6 10 -1 184 463.85 2
Hi High (pH 8-9.5) -1.38 -0.62 -147.08 5 10 -2 187 462.842 1
Hi High (pH 8-9.5) -0.64 -1.66 -110.12 5 10 -2 187 462.842 2
Hi High (pH 8-9.5) -0.20 -0.7 -95.14 6 10 -1 188 463.85 2
Hi High (pH 8-9.5) -0.20 -3.08 -119.07 5 10 -2 187 462.842 2
Mid Mid (pH 6-8) -0.64 -0.4 -52.09 7 10 0 186 464.858 2
Mid Mid (pH 6-8) -0.20 -2.53 -72.97 8 10 1 183 465.866 2
Mid Mid (pH 6-8) -1.23 -0.7 -64.14 6 10 0 182 464.858 2
Mid Mid (pH 6-8) -1.23 0.06 -114.67 5 10 -1 185 463.85 2
Mid Mid (pH 6-8) -1.38 -0.03 -64.6 7 10 0 186 464.858 1

Activity (Go SEA)

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