UCSF

ZINC52831140

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 15 Yes

Popular Name: N-[(1S)-1-methyl-2-(3-thienyl)ethyl]pyridazin-3-amine N-[(1S)-1-methyl-2-(3-thienyl)et…

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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) 1.91 5.7 -8.94 1 3 0 38 219.313 4 ↓
Mid Mid (pH 6-8) 1.91 5.87 -29.77 2 3 1 39 220.321 4 ↓
Mid Mid (pH 6-8) 1.91 5.87 -32.47 2 3 1 39 220.321 4 ↓

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

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