UCSF

ZINC31982347

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 Yes

Popular Name: 2(1H)-Isoquinolinepropionitrile, 3,4-dihydro-3-methyl-4-phenyl-, (E)-; BRN 1387494; LS-85787; trans-3-Methyl-4-phenyl-3,4-dihydro-2(1H)-isoquinolinepropionitrile 2(1H)-Isoquinolinepropionitrile,…

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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) 2.91 9.39 -7.56 0 2 0 27 276.383 3 ↓
Lo Low (pH 4.5-6) 2.91 11.63 -52.23 1 2 1 28 277.391 3 ↓

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