UCSF

ZINC38258335

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 9 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) 1.98 4.55 -4.83 0 2 0 26 128.171 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0033081A1; EP0490515B1; EP0708368A1; EP0708368B1; EP0737896A3; EP0823661A1; EP0877293A3; EP0878738A3; US3101276; US3939134; US3957920; US3959240; US3963495; US3987018; US4003810; US4135026; US4175964; US4197132; US4426438; US4822705; US5244768; US548076 IBM Patent Data

Activity (Go SEA)

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