UCSF

ZINC39264058

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 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) 2.46 5.76 -2.82 0 1 0 9 150.221 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0075827A2; US4383090; US4985442; US5330993; US5516797; US5654332; US6037370; US6124328 IBM Patent Data

Activity (Go SEA)

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