UCSF

ZINC69157761

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 24 Yes

Popular Name: N-[[2-(4-methylpiperazin-1-yl)-4-pyridyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine N-[[2-(4-methylpiperazin-1-yl)-4…

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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) 0.15 6.28 -106.24 3 9 2 90 327.396 4 ↓
Hi High (pH 8-9.5) 0.15 3.61 -12.5 1 9 0 87 325.38 4 ↓
Mid Mid (pH 6-8) 0.15 3.93 -42.82 2 9 1 89 326.388 4 ↓
Mid Mid (pH 6-8) 0.15 5.97 -46 2 9 1 89 326.388 4 ↓
Lo Low (pH 4.5-6) 0.15 6.75 -174.78 4 9 3 91 328.404 4 ↓

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

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