UCSF

ZINC65509193

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 22 Yes

Popular Name: 2-[(2S)-1-isopropyl-3-oxo-piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide 2-[(2S)-1-isopropyl-3-oxo-pipera…

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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) 0.06 0.52 -61.79 3 9 0 115 309.374 7 ↓
Mid Mid (pH 6-8) 0.06 -0.68 -44.65 2 9 -1 114 308.366 7 ↓
Lo Low (pH 4.5-6) 0.06 0.52 -42.8 4 9 1 117 310.382 7 ↓

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

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