UCSF

ZINC52815679

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 17 Yes

Popular Name: N-benzyl-N-pyridazin-3-yl-ethane-1,2-diamine N-benzyl-N-pyridazin-3-yl-ethane…

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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) 0.64 5.14 -101.33 4 4 2 58 230.315 5 ↓
Hi High (pH 8-9.5) 0.64 4.71 -8.69 2 4 0 55 228.299 5 ↓
Mid Mid (pH 6-8) 0.64 5.1 -46.62 3 4 1 57 229.307 5 ↓
Lo Low (pH 4.5-6) 0.64 5.26 -95.25 4 4 2 58 230.315 5 ↓

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

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