UCSF

ZINC69909175

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 18 No

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Annotations

Vendors

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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) 0.82 4.44 -7.03 3 5 0 59 269.418 3
Mid Mid (pH 6-8) 0.82 4.53 -29.33 4 5 1 60 270.426 3
Lo Low (pH 4.5-6) 1.00 6.62 -37.23 4 5 1 64 270.426 2

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

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