UCSF

ZINC42434679

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 Yes

Other Names:

MFCD14660960

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) 2.36 4.5 -9.87 1 3 0 36 234.324 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5266582; US5296605; US5330999 IBM Patent Data

Activity (Go SEA)

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