UCSF

ZINC57950809

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 18 Yes

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Annotations

None

Vendors

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) 1.82 5.57 -12.6 0 5 0 56 252.314 5
Mid Mid (pH 6-8) 1.82 7.64 -41.17 1 5 1 57 253.322 5

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

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