UCSF

ZINC54931123

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 15 Yes

Popular Name: N,6-diethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine N,6-diethyl-7,8-dihydro-5H-pyrid…

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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) 1.37 5.08 -44.17 2 4 1 42 207.301 3 ↓
Hi High (pH 8-9.5) 1.37 2.8 -7.35 1 4 0 41 206.293 3 ↓
Lo Low (pH 4.5-6) 1.37 5.2 -95.54 3 4 2 43 208.309 3 ↓

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

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