UCSF

ZINC03900082

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 18 Yes

Other Names:

MFCD00167834

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) 4.90 9.09 -2.68 0 1 0 9 242.362 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4386081 IBM Patent Data

Activity (Go SEA)

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