UCSF

ZINC52374202

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 2.59 9.39 -116.69 3 2 2 21 246.398 5
Mid Mid (pH 6-8) 2.59 7.5 -34.21 2 2 1 20 245.39 5

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

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