UCSF

ZINC41495935

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 19 Yes

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Annotations

None

Vendors

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) 2.02 8.63 -13.57 0 5 0 57 247.261 1
Lo Low (pH 4.5-6) 2.02 9.11 -42.77 1 5 1 58 248.269 1

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

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