UCSF

ZINC13683194

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 1.68 3.09 -7.25 2 4 0 58 237.69 3
Mid Mid (pH 6-8) 2.14 1.88 -42.09 2 4 0 65 237.69 3
Mid Mid (pH 6-8) 1.68 4.45 -49.84 3 4 1 62 238.698 3

Vendor Notes

Note Type Comments Provided By
MP 178 - 180 Enamine Building Blocks
MP 178...180 Enamine Building Blocks
MP 253 - 255 Enamine Building Blocks
MP 253...255 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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