UCSF

ZINC71559553

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 15 Yes

Popular Name: (2S)-2-[(3,4-dichlorophenyl)methyl]piperazine (2S)-2-[(3,4-dichlorophenyl)meth…

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Vendors

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) 2.47 4.4 -44.39 3 2 1 29 246.161 2 ↓
Hi High (pH 8-9.5) 2.47 3.05 -3.47 2 2 0 24 245.153 2 ↓
Hi High (pH 8-9.5) 2.47 4.17 -42.55 3 2 1 29 246.161 2 ↓
Lo Low (pH 4.5-6) 2.47 5.53 -128.33 4 2 2 33 247.169 2 ↓

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

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