UCSF

ZINC42684215

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 13 No

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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) 0.96 0.84 -13.09 1 4 0 63 199.231 3
Mid Mid (pH 6-8) 0.96 1 -38.71 0 4 -1 65 198.223 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0215124A1; EP0215124B1; EP0288423A1; EP0319999A2; EP0401709A2; EP0401709B1; EP0434413A1; EP0435561A3; EP0528435B1; EP0558076A3; EP0558076B1; EP0583004A1; EP0679935A3; US3931142; US4764455; US4879204; US4925782; US5143822; US5147769; US5208137; US5264333 IBM Patent Data

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