UCSF

ZINC16431680

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 11 Yes

Popular Name: 1,8-Naphthyridin-2(1H)-one 1,8-Naphthyridin-2(1H)-one

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CAS Numbers: 15936-09-1 , [15936-09-1]

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) 1.01 2.65 -11.45 1 3 0 46 146.149 0 ↓
Hi High (pH 8-9.5) 1.47 1.53 -49.14 0 3 -1 49 145.141 0 ↓
Lo Low (pH 4.5-6) 1.47 0.07 -34.41 2 3 1 47 147.157 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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