UCSF

ZINC01730214

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 16 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) 1.81 1.46 -10.69 0 4 0 48 217.224 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0643758A1; EP0643758B1; EP0643759A1; EP0643759B1; EP0643760A1; EP0643760B1; EP0887707A1; US5306314; US5306315; US5306316; US5759404; US6004721; US6143853 IBM Patent Data

Activity (Go SEA)

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