UCSF

ZINC03861632

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 23 No

CAS Number: 6409-77-4

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) -0.54 -9.07 -49.81 4 8 -1 157 334.285 1

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% )