UCSF

ZINC16941120

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 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) 2.15 6.32 -27.91 1 1 1 4 142.266 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0450066A1; EP0450066B1; US5227381; US5401740 IBM Patent Data

Activity (Go SEA)

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