UCSF

ZINC57478132

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2011 22 Yes

Popular Name: ethyl 3-[(4-isopropylpiperazin-1-yl)sulfonyl]-1H-pyrazole-4-carboxylate ethyl 3-[(4-isopropylpiperazin-1…

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CAS Numbers: 1260986-99-9 , [1260986-99-9]

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) 0.62 4.01 -47.59 2 8 1 97 331.418 6 ↓
Mid Mid (pH 6-8) 0.62 1.64 -17.05 1 8 0 96 330.41 6 ↓

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