UCSF

ZINC69876789

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 24 Yes

Popular Name: 1-[(3R)-3-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]-1-piperidyl]ethanone 1-[(3R)-3-[3-(ethylamino)-7,8-di…

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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) 0.48 5.52 -35.95 2 7 1 80 332.428 3 ↓
Mid Mid (pH 6-8) 0.48 5.36 -14.9 1 7 0 78 331.42 3 ↓
Mid Mid (pH 6-8) 0.48 5.54 -34.68 2 7 1 80 332.428 3 ↓

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Rings

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

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