UCSF

ZINC54930848

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 18 Yes

Popular Name: 6-benzyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one 6-benzyl-2,5,7,8-tetrahydropyrid…

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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) 1.48 5.86 -54.44 2 4 1 50 242.302 2 ↓
Hi High (pH 8-9.5) 1.94 1.72 -49.66 0 4 -1 52 240.286 2 ↓
Mid Mid (pH 6-8) 1.94 4 -69.2 1 4 0 53 241.294 2 ↓

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

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