UCSF

ZINC34879010

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 13 Yes

Other Names:

MFCD07345675

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) 1.01 2.43 -39.19 0 5 -1 62 175.171 3
Lo Low (pH 4.5-6) 1.01 2.68 -7.37 1 5 0 64 176.179 3

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID WO2000009485A1; WO2000009492A1 IBM Patent Data

Activity (Go SEA)

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