UCSF

ZINC34043092

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2009 25 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) 2.72 7.89 -9.57 2 6 0 85 343.379 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0832080A1; EP0847393A1; EP0935596A1; EP0941219A1; US5675025; US5684175; US5688977; US5750737; US5948919; US6048990; US6066749; US6107497; US6136999; US6143902; WO1996040624A1; WO1996040666A1; WO1996040667A1; WO1997031911A1; WO1997034866A1; WO1999057105A IBM Patent Data

Activity (Go SEA)

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