UCSF

ZINC71527912

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 27 No

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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) 2.36 2.76 -57.36 1 8 -1 116 450.294 4
Lo Low (pH 4.5-6) 2.36 3.2 -76.72 2 8 0 117 451.302 4

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

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