UCSF

ZINC17991274

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 31 No

CAS Numbers: 1934-21-0 , [1934-21-0]

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) -2.52 -3.59 -162.83 1 13 -3 217 465.401 6
Ref Reference (pH 7) -2.52 -2.17 -152.38 1 13 -3 217 465.401 6

Vendor Notes

Note Type Comments Provided By
Mp [°C] >300 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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