UCSF

ZINC32005916

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 11 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) 1.87 2.82 -34.3 3 2 1 37 160.281 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0382185B1; EP0382213A2; EP0382213B1; EP0650476A1; US5053548; US5225402; US5436254; US5652247; US5656642; US5760058; US6136826 IBM Patent Data

Activity (Go SEA)

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