UCSF

ZINC34227762

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 26 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) 4.38 10.78 -9.01 3 7 0 99 359.474 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0389282A2; EP1030666A1; US5734051; US5981535; WO1992009203A1; WO1993016699A1; WO1999020280A1 IBM Patent Data

Activity (Go SEA)

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