UCSF

ZINC02379387

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 12 No

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) 1.82 4.42 -10.44 0 2 0 26 168.167 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0206021A1; EP0255728A2; EP0255728B1; EP0663393A1; EP0663393B1; EP0689845A2; EP0706514B1; EP0716082A1; EP0778271A2; EP0934307A1; EP0949262A1; EP1011651A1; EP1025090A1; EP1061921A1; US4745233; US4866196; US5583222; US5739116; US5750706; US5767285; US57730 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.