UCSF

ZINC01617518

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

Other Names:

MFCD16621691

N/A

NA

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) 1.15 -0.13 -34.36 1 3 1 22 186.275 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0705600A1; EP0708102A1; EP0714894A1; EP0733628A1; EP0733628B1; EP0733628B9; EP0749962A1; EP0749962B1; EP0768301A1; EP0832650A3; EP0994109A3; US5521196; US5521197; US5698571; US5708008; US5708187; US5721252; US5814653; US5942536; US5962474; US5998630; US IBM Patent Data

Activity (Go SEA)

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