UCSF

ZINC40337002

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 31 Yes

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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) 3.02 12.77 -44.57 2 7 1 77 414.489 7
Mid Mid (pH 6-8) 3.02 12.25 -19.87 1 7 0 76 413.481 7

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

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