UCSF

ZINC04097151

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 12 No

CAS Numbers: 15572-79-9 , 1990-29-0 , 492-62-6

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) -2.64 -11.73 -9.7 5 6 0 110 180.156 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 106 - 108 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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