UCSF

ZINC03017744

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 20 No

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) 5.49 10.2 -7.89 0 3 0 39 273.376 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0377194A2; EP0377194B1; EP0392348A2; US5242748; US5605745; US5674864 IBM Patent Data
PUBCHEM_PATENT_ID US5958903 IBM Patent Data

Activity (Go SEA)

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