UCSF

ZINC49379655

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 32 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) 2.78 8.93 -24.08 0 8 0 66 436.512 5
Mid Mid (pH 6-8) 2.78 11.14 -63.6 1 8 1 67 437.52 5

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

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