UCSF

ZINC69927754

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 24 Yes

Popular Name: (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(2-phenylthiazol-5-yl)methanone (3-amino-7,8-dihydro-5H-pyrido[4…

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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) 2.36 5.34 -16.27 2 6 0 85 337.408 2 ↓
Mid Mid (pH 6-8) 2.36 5.5 -45.03 3 6 1 86 338.416 2 ↓
Mid Mid (pH 6-8) 2.36 5.45 -43.13 3 6 1 86 338.416 2 ↓

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Rings

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

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