UCSF

ZINC40444383

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 19 Yes

Popular Name: [1-(4-methylphthalazin-1-yl)-4-piperidyl]methanol [1-(4-methylphthalazin-1-yl)-4-p…

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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) 2.32 5.6 -24.18 2 4 1 50 258.345 2 ↓
Hi High (pH 8-9.5) 2.32 5.46 -11.47 1 4 0 49 257.337 2 ↓
Mid Mid (pH 6-8) 2.32 5.58 -28.1 2 4 1 50 258.345 2 ↓

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

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