UCSF

ZINC39242033

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 11 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) -1.54 6.43 -24.44 0 1 1 3 152.261 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0430114A2; EP0430114B1 IBM Patent Data

Activity (Go SEA)

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