UCSF

ZINC05948460

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 17 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) 2.71 8.44 -12.83 0 2 0 34 222.243 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3950423; US3972936; US4020096; US4070387 IBM Patent Data

Activity (Go SEA)

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