UCSF

ZINC01682382

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 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) 3.71 2.31 -8.15 0 1 0 17 210.276 3

Vendor Notes

Note Type Comments Provided By
BP 155 / 2 TCI
MP 95 TCI
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0051329A1; EP0237305A2; EP0237305B1; EP0311385A2; EP0311385B1; EP0346791A1; EP0346791B1; EP0381434A1; EP0381434B1; EP0435687B1; EP0485069A1; EP0485069B1; EP0641786A1; EP0641786B1; EP0735018A1; EP0735018B1; EP0736509A2; EP0736509A3; EP1038877A1; US434495 IBM Patent Data

Activity (Go SEA)

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