UCSF

ZINC01709820

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 7 No

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) -0.87 -2.07 -8.49 1 4 0 55 101.061 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0178165A1; EP0178794A1; EP0185506A2; EP0187521A2; EP0199604A2; EP0200206A2; EP0200206B1; EP0203465A2; EP0203465B1; EP0206461A2; EP0207596A2; EP0207794A2; EP0213700A2; EP0234742A2; EP0234742B1; EP0234783A2; EP0234783B1; EP0236986A2; EP0236986B2; EP024056 IBM Patent Data

Activity (Go SEA)

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

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