UCSF

ZINC69969995

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 25 Yes

Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(3-methylisoxazolo[5,4-b]pyridin-5-yl)me [3-(ethylamino)-7,8-dihydro-5H-p…

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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) 0.65 3.14 -42.02 2 8 1 98 339.379 3 ↓
Mid Mid (pH 6-8) 0.65 3.03 -16.91 1 8 0 97 338.371 3 ↓
Mid Mid (pH 6-8) 0.65 3.2 -41.52 2 8 1 98 339.379 3 ↓

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Rings

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

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