UCSF

ZINC54930996

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 14 Yes

Popular Name: 6-isopropyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine 6-isopropyl-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) 0.91 3.86 -42.46 3 4 1 56 193.274 1 ↓
Hi High (pH 8-9.5) 0.91 1.65 -7.62 2 4 0 55 192.266 1 ↓
Lo Low (pH 4.5-6) 0.91 3.97 -94.63 4 4 2 57 194.282 1 ↓

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Rings

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

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