UCSF

ZINC38281952

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 9 No

Other Names:

MFCD19300748

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) 2.51 5.06 -5.44 0 1 0 17 124.183 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0802897A1; EP0931790A2; EP0943615A1; US3953524; US3980629; US3981896; US3994936; US4152355; WO1996021638A1 IBM Patent Data

Activity (Go SEA)

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