UCSF

ZINC26058951

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 10 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) 2.40 5.44 -3.54 1 1 0 16 135.21 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0708760A1; US5446157; US5670497; WO1994019355A1; WO1995002582A1; WO1999048868A2 IBM Patent Data

Activity (Go SEA)

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