UCSF

ZINC39566095

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 13 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) 2.03 5.32 -49.67 0 3 -1 49 183.158 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0354655A2; EP0354655B1; US5076947 IBM Patent Data

Activity (Go SEA)

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