UCSF

ZINC01677414

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 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) 1.65 3.27 -30.73 2 2 1 25 146.254 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0382185A2; EP0382185B1; EP0382213A2; EP0382213B1; EP0650476A1; US5053548; US5225402; US5436254; US5652247; US5656642; US5760058; US6136826; WO1994001113A1; WO1994022826A1 IBM Patent Data

Activity (Go SEA)

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