UCSF

ZINC04817620

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 21 Yes

CAS Number: 1396998-94-9

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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) 1.59 5.24 -43.35 4 5 1 83 293.387 8
Mid Mid (pH 6-8) 1.59 5.4 -9.73 3 5 0 81 292.379 8

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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