UCSF

ZINC69926016

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 23 Yes

Popular Name: (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(2-thienyl)thiazol-4-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) 2.15 5.28 -31.72 3 6 1 86 344.445 2 ↓
Mid Mid (pH 6-8) 2.15 5.33 -33.63 3 6 1 86 344.445 2 ↓
Mid Mid (pH 6-8) 2.15 5.16 -12.81 2 6 0 85 343.437 2 ↓

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

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