UCSF

ZINC39348493

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 18 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) 2.66 8.6 -30.35 1 2 1 8 245.39 5
Mid Mid (pH 6-8) 2.66 8.25 -31.27 1 2 1 8 245.39 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4351842 IBM Patent Data

Activity (Go SEA)

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