UCSF

ZINC69970026

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 23 Yes

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

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Download: MOL2 SDF SMILES Flexibase

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) 0.93 6.13 -42.22 2 6 1 72 312.397 4 ↓
Mid Mid (pH 6-8) 0.93 6.02 -17.94 1 6 0 71 311.389 4 ↓
Mid Mid (pH 6-8) 0.93 6.2 -43.27 2 6 1 72 312.397 4 ↓
Lo Low (pH 4.5-6) 0.93 6.64 -80.88 3 6 2 74 313.405 4 ↓

Activity (Go SEA)

Rings

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

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