UCSF

ZINC37287314

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 Yes

Popular Name: (2S)-N-(4-butylphenyl)-2-piperazin-1-yl-propanamide (2S)-N-(4-butylphenyl)-2-piperaz…

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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) 2.64 5.58 -42 3 4 1 49 290.431 6 ↓
Hi High (pH 8-9.5) 2.64 4.23 -8.32 2 4 0 44 289.423 6 ↓
Lo Low (pH 4.5-6) 2.64 6.47 -34.71 3 4 1 46 290.431 6 ↓
Lo Low (pH 4.5-6) 2.64 7.79 -116.01 4 4 2 50 291.439 6 ↓

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

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