UCSF

ZINC13281565

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 20 Yes

Popular Name: 2-(phenylformamido)-3-(pyridin-3-yl)propanoic acid 2-(phenylformamido)-3-(pyridin-3…

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CAS Number: 33560-91-7

Other Names:

MFCD18838781

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) -0.52 5.84 -59.14 1 5 -1 82 269.28 5 ↓
Lo Low (pH 4.5-6) -0.52 6.12 -67.42 2 5 0 83 270.288 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 176 - 178 Enamine Building Blocks
MP 176...178 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

No pre-computed analogs available. Try a structural similarity search.