UCSF

ZINC31477053

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 37 Yes

Popular Name: 1(3H)-Isobenzofuranone, 7-amino-4,5,6-triethoxy-3-(1,2,3,4-tetrahydro-6,7,8-trimethoxy-2-methyl-1-isoquinolinyl)-; 458 L; 458L; LS-109389; Phthalide, 7-amino-3-(2-methyl-6,7,8-triethoxy-1,2,3,4-tetrahydro-1-isoquinolyl)-4,5,6-triethoxy- 1(3H)-Isobenzofuranone, 7-amino-…

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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) 3.49 7.11 -12.19 2 10 0 111 516.591 10 ↓
Lo Low (pH 4.5-6) 3.49 9.36 -41.01 3 10 1 112 517.599 10 ↓

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