UCSF

ZINC54931081

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 19 Yes

Popular Name: 6-benzyl-N-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine 6-benzyl-N-methyl-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) 2.01 7.36 -96.41 3 4 2 43 256.353 3 ↓
Hi High (pH 8-9.5) 2.01 4.91 -8.84 1 4 0 41 254.337 3 ↓
Mid Mid (pH 6-8) 2.01 7.18 -48.3 2 4 1 42 255.345 3 ↓

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

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