UCSF

ZINC37405045

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 13 Yes

Other Names:

MFCD11646196

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) 1.94 4.4 -38.12 2 2 1 26 243.124 1
Hi High (pH 8-9.5) 1.94 3.03 -3.3 1 2 0 21 242.116 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US5773437 IBM Patent Data

Activity (Go SEA)

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