UCSF

ZINC72194392

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2012 27 No

Popular Name: 3,4-dihydro-1-phenyl-(1S)-2(1H)-Isoquinolinecarboxylic acid (3R)-1-azabicyclo[2.2.2]oct-3-yl ester 3,4-dihydro-1-phenyl-(1S)-2(1H)-…

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CAS Number: 242478-37-1

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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) 4.45 9.9 -8.95 0 4 0 33 362.473 3 ↓
Mid Mid (pH 6-8) 4.45 12.67 -29.93 1 4 1 34 363.481 3 ↓

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

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