UCSF

ZINC04096029

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 15 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) -3.08 -10.64 -14.85 5 7 0 119 221.209 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0576592A1; EP0576592B1; US5461143; US5593887; US5759823; WO1992016640A1 IBM Patent Data

Activity (Go SEA)

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