UCSF

ZINC01041014

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 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) 4.16 11.43 -3.41 0 0 0 0 218.299 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0993478A1; WO1999065949A2; WO2000002891A1; WO2000011065A1; WO2000022011A2; WO2000034341A2; WO2000050466A1 IBM Patent Data

Activity (Go SEA)

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

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