UCSF

ZINC39322645

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 25 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) 0.20 3.38 -14.54 3 7 0 90 364.833 4
Mid Mid (pH 6-8) 0.20 5.64 -39.9 4 7 1 91 365.841 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4266050 IBM Patent Data

Activity (Go SEA)

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