UCSF

ZINC39384574

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 17 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) 1.20 4.9 -10.82 2 3 0 46 244.216 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4208202; US4294606; US4394156 IBM Patent Data

Activity (Go SEA)

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