UCSF

ZINC04876870

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 11 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) 2.65 4.11 -4.65 1 3 0 42 153.229 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0280771A1; EP0280771B1; EP0499196A1; US4963543; US5061804; US5306816 IBM Patent Data

Activity (Go SEA)

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