UCSF

ZINC59110802

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 39 No

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Annotations

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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) 6.60 11.93 -11.51 2 7 0 104 567.833 15
Hi High (pH 8-9.5) 6.60 12.59 -69.56 1 7 -1 107 566.825 15

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

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