UCSF

ZINC71531935

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3R)-3-[(4-chlorophenyl)methyl]-1-methyl-piperazine (3R)-3-[(4-chlorophenyl)methyl]-…

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Vendors

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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) 2.46 4.91 -38.8 2 2 1 20 225.743 2 ↓
Hi High (pH 8-9.5) 2.46 3.79 -2.83 1 2 0 15 224.735 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000077004A1 IBM Patent Data

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Rings

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

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