UCSF

ZINC60119091

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 36 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) 9.44 18.14 -45.7 0 3 -1 53 499.8 4
Lo Low (pH 4.5-6) 9.44 16.4 -4.51 1 3 0 50 500.808 4

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

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