UCSF

ZINC55542444

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 20 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) 1.94 3.7 -16.73 1 5 0 57 289.209 4
Hi High (pH 8-9.5) 2.12 1.95 -48.25 0 5 -1 63 288.201 4

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

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