UCSF

ZINC03887713

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 16 No

Other Names:

MFCD06357421

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) 1.96 6.35 -13.42 0 4 0 38 215.256 2
Mid Mid (pH 6-8) 1.96 6.68 -31.04 1 4 1 39 216.264 2

Vendor Notes

Note Type Comments Provided By
MP 178 - 179 Enamine Building Blocks
MP 178...179 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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