UCSF

ZINC52895743

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 27 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) 3.57 8.31 -47.75 3 6 1 76 393.508 8
Mid Mid (pH 6-8) 3.57 6.28 -14.54 2 6 0 74 392.5 8

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

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