UCSF

ZINC65526490

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: 3-[[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-pyrazol-4-yl]methyl]-3-azaspiro[4.4]nonane 3-[[1-[2-(4-ethylpiperazin-1-yl)…

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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) 2.25 10.51 -80.79 2 5 2 30 361.578 6 ↓
Hi High (pH 8-9.5) 2.25 5.75 -5.02 0 5 0 28 359.562 6 ↓
Hi High (pH 8-9.5) 2.25 8.24 -39.13 1 5 1 29 360.57 6 ↓

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

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