UCSF

ZINC04566475

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 28 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) 4.71 2.75 -42.67 1 4 1 32 378.492 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0129403A2; EP0539968A1; EP0539968B1; EP0971621A1; EP0993266A1; EP0994669A1; US4395312; US4465749; US5101216; US5232800; US5409666; US5498549; US5822137; US5997818; US6009339; US6101406; WO1998037800A1; WO1998037801A1; WO1998037802A1; WO1998038541A1 IBM Patent Data

Activity (Go SEA)

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