UCSF

ZINC03276907

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 13 Yes

Other Names:

MFCD03966910

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) 1.71 2.07 -10.55 1 3 0 47 180.203 3

Vendor Notes

Note Type Comments Provided By
MP 62 - 64 Enamine Building Blocks
MP 62...64 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US4317930; US4376780 IBM Patent Data

Activity (Go SEA)

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