UCSF

ZINC04291203

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 33 Yes

Other Names:

MFCD00152931

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) 8.71 18.99 -11.49 0 6 0 79 462.627 21

Vendor Notes

Note Type Comments Provided By
Mp [°C] 46 Acros Organics
BP [°C] 260 - 262 (p=4 torr) Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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