UCSF

ZINC01730048

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 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) 1.74 0.95 -99.62 0 4 -2 80 212.245 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0639197A1; EP0639197B1; US5256814; WO1992010099A1 IBM Patent Data

Activity (Go SEA)

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