UCSF

ZINC06412034

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 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) 3.19 1.68 -51.39 0 2 -1 40 213.256 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0072752A2; EP0169566A1; EP0169566B2; EP0264168A2; EP0264168B1; EP0304871A2; EP0371682A2; EP0371682B1; EP0538952A1; EP0538952B1; EP0748390A1; EP0862636A1; EP0870054A1; EP0933424A1; EP1028737A1; US3978116; US3978124; US3980699; US3998966; US4001301; US404 IBM Patent Data

Activity (Go SEA)

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