UCSF

ZINC05782706

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 19 Yes

Popular Name: BRN 1383269; Isoquinoline, 1,2,3,4-tetrahydro-4-phenyl-2,3,8-trimethyl-, (E)-; Isoquinoline, 4-phenyl-1,2,3,4-tetrahydro-2,3,8-trimethyl-, (E)-; LS-86026; trans-4-Phenyl-1,2,3,4-tetrahydro-2,3,8-trimethylisoquinoline BRN 1383269; Isoquinoline, 1,2,3…

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Annotations

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) 3.85 10.55 -37.15 1 1 1 4 252.381 1 ↓
Mid Mid (pH 6-8) 3.85 8.25 -2.77 0 1 0 3 251.373 1 ↓

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