UCSF

ZINC05554189

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 14 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) 3.98 1.73 -46.46 0 2 -1 40 195.282 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3996244; US4031235; US4039680; US4058622; US4062968; US4266074; US4531008 IBM Patent Data

Activity (Go SEA)

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