UCSF

ZINC49799796

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 52 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) 6.59 20.18 -28.26 0 12 0 142 736.94 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0010615A1; EP0012035A1; EP0068505A1; EP0095946A1; EP0142130A2; EP0142130B1; EP0148551A2; EP0151197A1; EP0186210A2; EP0186210B1; EP0211004A1; EP0228456A1; EP0228969A2; EP0228969B1; EP0229901A1; EP0235470A2; EP0235470B1; EP0245168A2; EP0299660A2; EP029977 IBM Patent Data

Activity (Go SEA)

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