UCSF

ZINC01730645

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 17 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) 3.54 1.02 -5.94 0 2 0 18 228.291 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0054699A2; EP0939749A1; EP1004621A1; US4008230; US4008231; US4048162; US4075203; US4081440; US4115383; US4165315; US4165316; US4413149; US6133403 IBM Patent Data

Activity (Go SEA)

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