UCSF

ZINC38281989

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 9 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) -1.82 -5.07 -9.62 3 4 0 70 133.147 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0233249A1; EP0233249B1; EP0365541A1; EP0365541B1; US4069250; US4109081; US4138589; US4224440; US4314055; US4954348; WO1987000757A1 IBM Patent Data

Activity (Go SEA)

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