UCSF

ZINC19924001

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 2.46 5.45 -47.08 4 2 1 43 235.738 1

Vendor Notes

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

Activity (Go SEA)

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