UCSF

ZINC38418187

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 17 Yes

Popular Name: Homocarnosine Homocarnosine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1807885-26-2 , 3650-73-5 , [3650-73-5]

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) -3.43 2.36 -106.3 6 7 1 127 241.271 7 ↓
Mid Mid (pH 6-8) -3.24 -1.83 -78.32 5 7 0 129 240.263 7 ↓
Mid Mid (pH 6-8) -3.24 -1.39 -80.33 5 7 0 129 240.263 7 ↓
Mid Mid (pH 6-8) -3.24 -0.83 -86.9 5 7 0 129 240.263 7 ↓
Mid Mid (pH 6-8) -3.24 -0.85 -76.06 5 7 0 129 240.263 7 ↓
Mid Mid (pH 6-8) -3.43 1.85 -76.26 5 7 0 126 240.263 7 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
UniProt Database Links CNDP1_HUMAN; CNDP1_MOUSE; CNDP1_RAT; CRNS1_CHICK; CRNS1_HUMAN; CRNS1_MOUSE ChEBI
Patent Database Links EP1932514; EP1949906; GB2143732; GB2144039 ChEBI

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