UCSF

ZINC02164141

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 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) 3.24 -0.72 -3.2 1 1 0 20 184.666 3

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0068250A1; US4590291 IBM Patent Data

Activity (Go SEA)

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