UCSF

ZINC05517482

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 13 No

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) 2.47 2.01 -8.54 0 2 0 26 176.215 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3953506; US3953606; US4005140; US4062856; US4920227; US5073654 IBM Patent Data

Activity (Go SEA)

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