UCSF

ZINC05758654

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 21 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) 6.71 11.32 -1.99 1 1 0 20 298.555 14

Vendor Notes

Note Type Comments Provided By
MP >310o C Indofine
PUBCHEM_PATENT_ID EP0912546A1; EP0986747A1; US5637201; US5741409; US5753093; US5783054; US5798030; WO1994007593A1; WO1997043274A1; WO1998055854A1; WO1999061531A1 IBM Patent Data

Activity (Go SEA)

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