UCSF

ZINC39383310

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 20 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) 4.45 8.3 -2.74 0 2 0 12 275.436 5
Mid Mid (pH 6-8) 4.45 10.31 -36.18 1 2 1 14 276.444 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4241058 IBM Patent Data

Activity (Go SEA)

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