UCSF

ZINC02583407

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 12 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) 2.13 1.2 -7.4 0 1 0 13 161.179 0
Lo Low (pH 4.5-6) 2.13 1.26 -29.37 1 1 1 14 162.187 0

Vendor Notes

Note Type Comments Provided By
BP 120 / 15 TCI
MP 47 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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