UCSF

ZINC68852997

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2011 28 Yes

Popular Name: N-[(1S)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-4-chloro-benzenesulfonamide N-[(1S)-2-(4-benzylpiperazin-1-y…

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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) 2.65 5.25 -13.06 1 6 0 70 421.95 6 ↓
Lo Low (pH 4.5-6) 2.65 7.46 -56.01 2 6 1 71 422.958 6 ↓

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

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