UCSF

ZINC69841552

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 26 Yes

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

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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) 2.00 9.28 -42.75 2 6 1 64 348.43 4 ↓
Mid Mid (pH 6-8) 2.00 9.17 -18.64 1 6 0 63 347.422 4 ↓
Mid Mid (pH 6-8) 2.00 9.35 -44.01 2 6 1 64 348.43 4 ↓

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Rings

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

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