UCSF

ZINC37098745

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 9 Yes

Other Names:

MFCD11627425

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) -0.02 -1.65 -8.68 2 4 0 63 152.219 3
Hi High (pH 8-9.5) -0.02 -1.18 -39.56 1 4 -1 61 151.211 3

Vendor Notes

Note Type Comments Provided By
MP 32 - 34 Enamine Building Blocks
MP 32...34 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0990653A1 IBM Patent Data

Activity (Go SEA)

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