UCSF

ZINC34283541

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2009 8 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) -0.23 -2.28 -47.34 5 3 1 71 117.172 2
Mid Mid (pH 6-8) -0.23 -2.63 -5.98 4 3 0 69 116.164 2

Vendor Notes

Note Type Comments Provided By
MP 235 - 237 Enamine Building Blocks
MP 235...237 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US5710147 IBM Patent Data

Activity (Go SEA)

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