UCSF

ZINC04349256

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 32 No

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) 0.03 -14.58 -20.56 8 11 0 201 448.38 3

Vendor Notes

Note Type Comments Provided By
M.P. 245-246 C Indofine
MP 245-246o C Indofine
PUBCHEM_PATENT_ID EP0054486A1; US4460578; WO2000030623A2 IBM Patent Data
SOLUBILITY Hygroscopic Indofine

Activity (Go SEA)

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