UCSF

ZINC64539378

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 36 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) 6.57 13.62 -6.25 2 4 0 46 473.62 5
Mid Mid (pH 6-8) 6.57 14.4 -36.84 3 4 1 50 474.628 5

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

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