UCSF

ZINC72099467

Substance Information

In ZINC since Heavy atoms Benign functionality
February 29th, 2012 42 No

CAS Number: 33419-42-0

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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) 0.70 1.45 -20.62 3 13 0 161 588.562 5

Vendor Notes

Note Type Comments Provided By
MP 251 TCI

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

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