UCSF

ZINC34234114

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 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) 2.09 6.65 -32.11 2 2 1 16 217.336 2
Mid Mid (pH 6-8) 2.09 7.5 -112.82 3 2 2 21 218.344 2
Mid Mid (pH 6-8) 2.09 5.5 -35.62 2 2 1 20 217.336 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5348971; US5436244 IBM Patent Data

Activity (Go SEA)

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