UCSF

ZINC69897941

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 Yes

Popular Name: 2-(1,2-benzoxazol-3-yl)-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone 2-(1,2-benzoxazol-3-yl)-1-[3-(et…

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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 6.64 -48.74 2 7 1 85 338.391 4 ↓
Mid Mid (pH 6-8) 2.15 6.53 -22.11 1 7 0 84 337.383 4 ↓
Mid Mid (pH 6-8) 2.15 6.71 -49.53 2 7 1 85 338.391 4 ↓

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Rings

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

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