UCSF

ZINC01869946

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 15 Yes

Other Names:

MFCD00541330

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) 3.37 -0.17 -5.89 1 2 0 25 201.269 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0115607A1; US4547576; US4618614; US4698351 IBM Patent Data

Activity (Go SEA)

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