UCSF

ZINC34225918

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 33 Yes

Popular Name: 6-[4-[(3R)-3-phenyl-3-pyrrolidin-1-yl-propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one 6-[4-[(3R)-3-phenyl-3-pyrrolidin…

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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) 2.75 10.55 -48.37 2 6 1 57 447.603 6 ↓
Mid Mid (pH 6-8) 2.75 10.1 -55.14 2 6 1 57 447.603 6 ↓
Mid Mid (pH 6-8) 2.75 7.9 -12.02 1 6 0 56 446.595 6 ↓
Lo Low (pH 4.5-6) 2.75 12.76 -128.07 3 6 2 58 448.611 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4886809; US5071856; US5306719 IBM Patent Data

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