UCSF

ZINC02506704

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 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) 2.90 4.13 -7.57 0 1 0 13 215.096 2
Lo Low (pH 4.5-6) 2.90 4.19 -40.02 1 1 1 14 216.104 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 2? Alfa-Aesar
Melting_Point Alfa-Aesar
BP 158 TCI
MP 2 TCI
Boiling_Point 85?/18mm Alfa-Aesar
BP 85°/18mm Matrix Scientific
BP 85°/18mmHg Fluorochem
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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