UCSF

ZINC13431048

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 25 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) -3.60 -5.63 -248.93 4 14 -3 232 400.153 6
Mid Mid (pH 6-8) -3.60 -6.79 -131.25 5 14 -2 230 401.161 6

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

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