UCSF

ZINC58004474

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 14 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) 1.71 4.31 -8.09 2 3 0 52 225.342 2
Lo Low (pH 4.5-6) 1.71 4.71 -28.32 3 3 1 53 226.35 2

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

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