UCSF

ZINC70007556

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 26 Yes

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

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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) 1.20 8 -53.72 3 7 1 91 349.418 3 ↓
Mid Mid (pH 6-8) 1.20 7.96 -51.64 3 7 1 91 349.418 3 ↓
Mid Mid (pH 6-8) 1.20 7.84 -23.89 2 7 0 90 348.41 3 ↓
Lo Low (pH 4.5-6) 1.20 8.3 -82.54 4 7 2 92 350.426 3 ↓

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Rings

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

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