UCSF

ZINC00895382

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 8 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) -1.02 1.41 -34.85 3 4 1 58 114.128 0
Hi High (pH 8-9.5) -1.02 1.46 -6.76 2 4 0 56 113.12 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 255 Acros Organics
Melting_Point ca 255? dec. Alfa-Aesar
Melting_Point ca 255° dec. Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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