UCSF

ZINC67338071

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2011 30 No

Popular Name: [3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]sulfonyl-1-ethyl-pyrazol-4-yl]-[(2S)-2-methylaziridin [3-[4-(5-chloro-2-methyl-phenyl)…

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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) 2.60 7.85 -25.08 0 8 0 79 451.98 5 ↓
Lo Low (pH 4.5-6) 2.60 7.91 -55.1 1 8 1 80 452.988 5 ↓

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

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