UCSF

ZINC05854464

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 16 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) 2.90 8.14 -6.57 0 4 0 53 226.272 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0843220A1; US5994022 IBM Patent Data

Activity (Go SEA)

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