UCSF

ZINC98241238

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2014 34 Yes

Other Names:

MFCD00149448

Download: MOL2 SDF SMILES Flexibase

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) -4.90 -23.28 -18.97 11 16 0 269 504.438 8

Vendor Notes

Note Type Comments Provided By
Mp [°C] 160 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

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