UCSF

ZINC62153608

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 29 Yes

Popular Name: [2-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethyl]BLAHone [2-oxo-2-[4-(2-pyrazol-1-ylethyl…

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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) 0.76 7.18 -14.11 0 8 0 76 414.535 5 ↓
Lo Low (pH 4.5-6) 0.76 9.39 -52.58 1 8 1 77 415.543 5 ↓

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

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