UCSF

ZINC59206792

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 33 Yes

Popular Name: (1S)-2-[4-[3-[4-[(2R)-2-hydroxy-2-phenyl-ethyl]piperazin-1-yl]propyl]piperazin-1-yl]-1-phenyl-ethano (1S)-2-[4-[3-[4-[(2R)-2-hydroxy-…

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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) 2.05 7.2 -110.74 4 6 2 56 454.659 10 ↓
Hi High (pH 8-9.5) 2.05 2.66 -7.44 2 6 0 53 452.643 10 ↓
Mid Mid (pH 6-8) 2.05 4.92 -40.86 3 6 1 55 453.651 10 ↓
Mid Mid (pH 6-8) 2.05 7.2 -93.11 4 6 2 56 454.659 10 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4725597 IBM Patent Data

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