UCSF

ZINC69977243

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 2.23 8.6 -19.67 1 6 0 63 335.411 4 ↓
Mid Mid (pH 6-8) 2.23 8.79 -45.99 2 6 1 64 336.419 4 ↓
Mid Mid (pH 6-8) 2.23 8.72 -44.95 2 6 1 64 336.419 4 ↓

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Rings

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

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