UCSF

ZINC34389700

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 28 No

Other Names:

MFCD00132981

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) 0.42 1.7 -41.16 3 9 -1 149 405.257 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0791070B1; US5242805; US5268463; US5432081; US5599670; US5861270; US5968762 IBM Patent Data

Activity (Go SEA)

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