UCSF

ZINC04245685

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 21 No

CAS Number: 53-41-8

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) 3.43 6.79 -4.91 1 2 0 37 290.447 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0148436A1; EP0149220A2; EP0243449A1; EP0288102A1; EP0423842A3; EP0479166A1; EP0554436A1; EP0554436B1; EP0590489A2; EP0590489B1; EP0637203A1; EP0661986A1; EP0661986B1; EP0665752A1; EP0701444A1; EP0801557A2; EP0866722A1; EP0973524A1; EP1054677A1; US396370 IBM Patent Data

Activity (Go SEA)

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