UCSF

ZINC05752258

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 22 Yes

Popular Name: BRN 1387043; Isoquinoline, 1,2,3,4-tetrahydro-6-tert-butyl-2,3-dimethyl-4-phenyl-, (E)-; Isoquinoline, 6-tert-butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydro-, (E)-; LS-85837; trans-6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline BRN 1387043; Isoquinoline, 1,2,3…

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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) 5.13 12.84 -36.18 1 1 1 4 294.462 2 ↓
Mid Mid (pH 6-8) 5.13 10.49 -2.76 0 1 0 3 293.454 2 ↓

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