UCSF

ZINC71973167

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2012 32 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) 3.36 7.14 -36.2 3 5 1 57 447.684 2
Mid Mid (pH 6-8) 3.36 8.17 -77.57 4 5 2 59 448.692 2

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

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