UCSF

ZINC39378518

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 20 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) 2.58 6.68 -50.82 2 5 -1 81 281.376 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0585130B1 IBM Patent Data
PUBCHEM_PATENT_ID EP0585130B1; US5690914 IBM Patent Data

Activity (Go SEA)

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