UCSF

ZINC40532340

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 17 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) -0.17 7.54 -68.59 0 5 -1 64 239.295 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0754176A1; EP0941113A1; US5744485; US5780484; WO1998020893A1 IBM Patent Data

Activity (Go SEA)

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