UCSF

ZINC39336246

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 20 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) 2.47 9.41 -8.13 0 2 0 34 270.372 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0549041B1; EP0582338A2; EP0582338A3; EP0582338B1; EP0683172B1; EP0709394A3; EP0712311A1; EP0712311B1; EP0776904A3; EP0776904B1; EP0973792A1; US5292878; US5620966; US5712264; US5741786; US5741787; US5854235; US5955622; US6005124; US6072068; WO1995004536A IBM Patent Data

Activity (Go SEA)

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