UCSF

ZINC02565055

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Other Names:

MFCD00277211

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) 3.02 0.81 -8.43 1 2 0 29 191.274 4

Vendor Notes

Note Type Comments Provided By
mp 104.5 - 106 MolMall (formerly Molecular Diversity Preservation International)
Mp [°C] 107 - 109 Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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