UCSF

ZINC00047136

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 Yes

Other Names:

MFCD00080815

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) 0.38 3.93 -16.79 0 9 0 114 318.278 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0348446A1; EP0348446B1; EP0636372A1; EP0636372B1 IBM Patent Data

Activity (Go SEA)

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