UCSF

ZINC03954487

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 26 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) 4.09 11.14 -63.5 1 3 1 26 387.594 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1026950A1; US4209505; WO1998007426A1; WO2000010551A2; WO2000035295A1; WO2000035296A1; WO2000035298A1 IBM Patent Data

Activity (Go SEA)

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