UCSF

ZINC38606257

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 23 No

Other Names:

MFCD00076090

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) 4.36 5.89 -3.58 2 2 0 40 320.517 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000021977A1 IBM Patent Data

Activity (Go SEA)

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