UCSF

ZINC34592323

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 18 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) 4.57 9 -8.49 0 3 0 36 250.338 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0138741A2; EP0458196A1; EP0458196B1; EP0501360A1; EP0501360B1; EP0530020B1; EP0574853A3; EP0574853B1; EP0603435A1; EP0603435B1; EP0670525A1; EP0720063A3; EP0720063B1; EP0741337A1; EP0741337B1; EP0790535A2; EP0889370A1; US4027065; US4206064; US4321093; U IBM Patent Data

Activity (Go SEA)

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