UCSF

ZINC34222365

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 18 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) 3.01 4.55 -30.02 3 3 1 42 258.732 0
Mid Mid (pH 6-8) 3.01 4.15 -7.73 2 3 0 41 257.724 0
Lo Low (pH 4.5-6) 3.01 5.89 -99.22 4 3 2 47 259.74 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5216162; US5281608 IBM Patent Data

Activity (Go SEA)

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