UCSF

ZINC05784598

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 26 No

CAS Number: 20283-92-5

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) 1.63 2.12 -62.81 4 8 -1 147 359.31 7

Vendor Notes

Note Type Comments Provided By
mp 262 - 265 MolMall (formerly Molecular Diversity Preservation International)
PUBCHEM_PATENT_ID WO2000039066A1; WO2000039248A1 IBM Patent Data

Activity (Go SEA)

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