UCSF

ZINC69950621

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 21 Yes

Popular Name: 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-3-cyclohexyl-propan-1-one 1-(3-amino-7,8-dihydro-5H-pyrido…

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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) 2.57 6.57 -38.18 3 5 1 73 289.403 3 ↓
Mid Mid (pH 6-8) 2.57 6.46 -14.35 2 5 0 72 288.395 3 ↓
Mid Mid (pH 6-8) 2.57 6.63 -40.6 3 5 1 73 289.403 3 ↓

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Rings

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

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