UCSF

ZINC64220250

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2011 11 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) 1.80 2.87 -35.28 0 3 -1 52 158.083 1
Lo Low (pH 4.5-6) 1.80 0.37 -4.74 1 3 0 50 159.091 1

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

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