UCSF

ZINC00386722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 16 Yes

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) -1.30 4.04 -49.87 0 6 -1 81 227.24 3
Lo Low (pH 4.5-6) -1.30 2.01 -13.13 1 6 0 78 228.248 3

Vendor Notes

Note Type Comments Provided By
MP 110 - 116 Enamine Building Blocks
MP 115 - 117 Enamine Building Blocks
MP 115...117 Enamine Building Blocks
MP 130 - 132 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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