UCSF

ZINC06472292

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 34 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) 8.51 20.77 -9.38 0 4 0 53 464.646 14

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0285617A1; EP0285617B1; US4886621 IBM Patent Data

Activity (Go SEA)

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