UCSF

ZINC20446503

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 10 Yes

Popular Name: 1,2,3,4-Tetrahydro-2,7-naphthyridine hydrochloride 1,2,3,4-Tetrahydro-2,7-naphthyri…

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CAS Numbers: 108749-08-2 , 1354940-72-9 , 449175-32-0

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) 0.23 0.59 -39.03 1 2 0 28 134.182 0 ↓
Mid Mid (pH 6-8) 0.23 0.13 -37.07 0 2 -1 27 133.174 0 ↓
Mid Mid (pH 6-8) 0.23 2.78 -47.13 2 2 1 29 135.19 0 ↓
Mid Mid (pH 6-8) 0.23 1.79 -32.96 2 2 1 26 135.19 0 ↓
Mid Mid (pH 6-8) 0.23 3.22 -97.63 3 2 2 31 136.198 0 ↓
Mid Mid (pH 6-8) 0.23 1.42 -4.04 1 2 0 25 134.182 0 ↓

Vendor Notes

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

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

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