UCSF

ZINC35799628

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 24 No

Other Names:

MFCD00078147

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) -4.76 -15.17 -57.84 8 12 -1 220 357.288 8

Vendor Notes

Note Type Comments Provided By
Mp [°C] 113 - 118 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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