UCSF

ZINC02044009

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 10 Yes

Other Names:

MFCD00039901

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) 1.27 2.12 -7.05 0 3 0 35 146.186 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0251120A2 IBM Patent Data

Activity (Go SEA)

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