UCSF

ZINC34562020

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 0.34 2.2 -43.47 0 6 -1 101 327.359 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0302793A2; EP0302793B1; US4957925; US4994474; US5017579; US5039700; US5147878; US5182291; US5215988 IBM Patent Data

Activity (Go SEA)

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