UCSF

ZINC54931251

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 21 Yes

Popular Name: 6-benzyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine 6-benzyl-N-propyl-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) 2.89 8.76 -47.88 2 4 1 42 283.399 5 ↓
Hi High (pH 8-9.5) 2.89 6.49 -8.04 1 4 0 41 282.391 5 ↓
Lo Low (pH 4.5-6) 2.89 8.88 -103.68 3 4 2 43 284.407 5 ↓

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

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