UCSF

ZINC34474961

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 17 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) 6.15 9.14 -41.82 3 1 1 28 240.455 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0896964A2; EP0966468A1; EP1053228A1; US5354869; US5929239; US5981773; US6060601; US6166210; WO1998031678A1; WO1998032799A1; WO1998039333A1; WO1999031069A1 IBM Patent Data

Activity (Go SEA)

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