UCSF

ZINC34364046

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 14 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) 1.37 4.15 -14.02 1 3 0 46 191.23 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0050965A1; EP0053815A1; EP0053816A1; EP0095764A2; US4550105; US4665067; US4675397; US4683303; US4725591; US4771045; US4782147; US4822788; US4822790 IBM Patent Data

Activity (Go SEA)

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