UCSF

ZINC04212551

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 18 Yes

CAS Number: 63323-46-6

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) 2.56 -0.94 -40.61 3 3 1 44 250.362 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0284849B1; EP0597018A1; EP0597018B1; EP0858329A1; EP1021204A2; EP1054998A1; US4500738; US4554164; US5204116; US5338550; US5446070; US5656286; US5719197; US5795909; US6024976; WO1993001821A1; WO1993002707A1; WO1995016465A1; WO1996040086A2; WO1997044063A2 IBM Patent Data

Activity (Go SEA)

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