UCSF

ZINC00158789

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

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) 0.44 0.88 -8.43 1 4 0 59 196.231 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 119 - 120 Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
S phrase S22: Do not breathe dust. 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.