UCSF

ZINC21297372

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 16 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) 1.19 1.58 -107.72 1 6 -2 110 224.168 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0097783A1; EP0194542A2; US3939190; US3959340; US4022623; US4033772; US4052369; US4089688; US4107148; US4120727; US4131471; US4138216; US4187276; US4219124; US4315071; US4350759; US4507405; US4522856; US4835055; US5246772 IBM Patent Data

Activity (Go SEA)

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