UCSF

ZINC00078004

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 24 Yes

Popular Name: 2-(4-Chloro-benzoylamino)-3-(1H-indol-3-yl)-propionic acid 2-(4-Chloro-benzoylamino)-3-(1H-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 39544-74-6 , 56116-62-2 , 56116-67-7

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) 1.54 -1.2 -61.19 2 5 -1 85 341.774 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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