UCSF

ZINC12405036

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 7 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) -0.30 -2.49 -5.31 2 2 0 40 102.133 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 40 Acros Organics
BP [°C] 80 - 85 (p=0.1 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% )