UCSF

ZINC02384304

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 15 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) 4.54 6.04 -5.3 1 1 0 20 239.101 1

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0009190A1; EP0053280A1; EP0365881A2; EP0369194A2; EP0369194B1; EP0375929A2; EP0375929B1; EP0375980A2; EP0387554A2; EP0413087A1; EP0422570B1; EP0534204B1; US4292230; US4390675; US4410647; US4464521; US4940651; US4960634; US5047568; US5059512; US5061779 IBM Patent Data

Activity (Go SEA)

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