UCSF

ZINC14136206

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2008 14 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) -0.22 -2.1 -13.29 3 5 0 89 212.23 1
Hi High (pH 8-9.5) 0.73 -3.4 -46.61 3 5 -1 99 211.222 1

Vendor Notes

Note Type Comments Provided By
MP 252 - 254 Enamine Building Blocks
MP 252...254 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0715628A1; EP0752985A1; EP0752985B1; US5663346; US5840745; US6051593; US6114371; US6130238; WO1996000226A1; WO1996022976A1; WO1998050356A1; WO1999048868A2; WO1999061422A1; WO2000008202A2 IBM Patent Data

Activity (Go SEA)

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