UCSF

ZINC41225231

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 14 Yes

Other Names:

MFCD07373585

NA

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) 1.33 1.39 -7.98 2 3 0 41 210.664 1
Mid Mid (pH 6-8) 1.33 2.71 -51.36 3 3 1 46 211.672 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5856326 IBM Patent Data

Activity (Go SEA)

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