UCSF

ZINC13284933

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2008 11 No

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Annotations

None

Vendors

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) -1.50 0.37 -13.4 4 6 0 94 151.153 1
Hi High (pH 8-9.5) -1.50 -0.25 -23.43 2 6 0 91 149.137 1
Hi High (pH 8-9.5) -1.50 0.22 -38 3 6 0 92 150.145 1
Hi High (pH 8-9.5) -1.50 0.08 -7.07 3 6 0 92 150.145 1
Hi High (pH 8-9.5) -1.50 -0.1 -12.48 3 6 0 92 150.145 1
Mid Mid (pH 6-8) -1.02 2.44 -38.18 5 6 1 98 151.153 1
Mid Mid (pH 6-8) -1.50 0.56 -8.87 4 6 0 94 151.153 1

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

No pre-computed analogs available. Try a structural similarity search.