UCSF

ZINC04214242

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 23 Yes

CAS Number: 31721-17-2

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) 4.51 1.31 -35.96 1 2 1 7 305.445 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0737066A1; EP0835660A1; EP1021204A2; EP1027011A1; US5446070; US5502080; US5656286; US5658955; US5719197; US5922341; US6024976; WO1994021244A1; WO1995018603A1; WO1996040086A2; WO1999012524A1; WO1999015210A2; WO1999021508A1; WO1999033448A1; WO2000000120A1 IBM Patent Data

Activity (Go SEA)

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