UCSF

ZINC04649464

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2005 24 Yes

Other Names:

MFCD02954224

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) 2.81 -1.32 -38.57 2 4 1 46 325.432 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0422097A1; EP0422097B1; EP0583439B1; EP1021204A2; US4708952; US4716173; US5278173; US5340803; US5476842; US5637594; US5639737; US5656286; US6024976; WO1990000055A1; WO1993015727A1; WO1995013056A1; WO1996019243A1; WO1997018800A1; WO1999015210A2; WO200004 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.