UCSF

ZINC04261934

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 19 No

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) -1.41 4.48 -33.71 2 4 1 55 253.329 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 290 Acros Organics
H phrase H341: Suspected of causing genetic defects Acros Organics
P phrase P281: Use personal protective equipment as required Acros Organics
R phrase R68: Possible risks of irreversible effects. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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

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