UCSF

ZINC13424727

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 33 No

CAS Number: 21637-25-2

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) -0.36 -9.65 -21.26 8 12 0 211 464.379 4

Vendor Notes

Note Type Comments Provided By
M.P. 219-225 C Indofine
PUBCHEM_PATENT_ID EP0065123A1; EP0524744B1; EP0571520B1; EP0577143A2; EP0577143A3; EP0577143B1; EP0633022A2; EP0633022B1; EP0648496A1; EP0697878A1; EP0697878B1; EP0702957A1; EP0702957B1; EP0714296A1; EP0742012A2; EP0825196A3; EP0862057A1; EP0914139A2; EP0945126A2; EP094512 IBM Patent Data
SOLUBILITY Soluble in Water:Acetic acid (85:15) Indofine
APPEARANCE Yellow powder Indofine

Activity (Go SEA)

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