UCSF

ZINC86862125

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 11 Yes

CAS Number: 551-93-9

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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) -1.12 -0.98 -6.91 3 3 0 63 153.181 2
Mid Mid (pH 6-8) -1.12 -0.58 -49.86 4 3 1 65 154.189 2

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

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