UCSF

ZINC01680039

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 No

Other Names:

MFCD00053634

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) 0.88 2.63 -18.34 3 4 0 72 212.636 2
Mid Mid (pH 6-8) 0.82 -1.93 -38.21 2 4 -1 80 211.628 3

Vendor Notes

Note Type Comments Provided By
MP 170 - 172 Enamine Building Blocks
MP 170...172 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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