UCSF

ZINC34597486

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 16 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) 2.25 5.71 -43.76 4 2 1 43 215.32 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0749313A1; US5629317; US5643916; US5663178; US5688807; US5705519; US5736544; US5861408; US5861409; US5861410; US5869691; WO1995024200A1; WO1996024351A1 IBM Patent Data

Activity (Go SEA)

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