UCSF

ZINC41393099

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 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) 2.90 5.41 -3.08 0 1 0 9 154.184 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0232776A2; EP0365678A1; EP0365678B1; EP0389162A1; EP0389162B1; US4775692; US5086071; US5401768 IBM Patent Data

Activity (Go SEA)

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