UCSF

ZINC04344142

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 20 Yes

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) 3.83 -1.19 -13.37 2 5 0 67 278.352 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0832065A1; US6107329; WO1996039384A1 IBM Patent Data

Activity (Go SEA)

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