UCSF

ZINC06357856

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2006 29 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) 6.68 -0.7 -2.55 2 2 0 40 402.663 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0943332A1; EP1019059A1; US6060515; US6071955; WO1998032444A1 IBM Patent Data

Activity (Go SEA)

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