UCSF

ZINC02583337

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 27 Yes

CAS Number: 1452572-11-0

Other Names:

BOCTHYRONIN

MFCD02682676

Download: MOL2 SDF SMILES Flexibase

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) 3.79 7 -52.73 2 7 -1 108 372.397 8

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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