UCSF

ZINC62569171

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 15 Yes

Popular Name: (5S)-5-benzyl-2,2-dimethyl-piperazine (5S)-5-benzyl-2,2-dimethyl-piper…

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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) 2.35 4.63 -35.31 3 2 1 29 205.325 2 ↓
Hi High (pH 8-9.5) 2.35 4.54 -33.63 3 2 1 29 205.325 2 ↓
Hi High (pH 8-9.5) 2.35 3.43 -1.98 2 2 0 24 204.317 2 ↓
Lo Low (pH 4.5-6) 2.35 5.74 -114.11 4 2 2 33 206.333 2 ↓

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Rings

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

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