UCSF

ZINC22043128

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 26 Yes

Popular Name: EINECS 259-162-8; LS-139313; Methyl 1,2,3,7-tetrahydro-8-methyl-2-(2-morpholinoethyl)pyrrolo(3.2-f)(1,3)benzoxazine-9-carboxylate; Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-8-methyl-2-(2-(4-morpholinyl)ethyl)-, methyl ester EINECS 259-162-8; LS-139313; Met…

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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) 1.63 2.31 -12.83 1 7 0 67 359.426 5 ↓
Mid Mid (pH 6-8) 1.63 4.58 -44.51 2 7 1 68 360.434 5 ↓
Mid Mid (pH 6-8) 1.63 5.15 -39.23 2 7 1 68 360.434 5 ↓

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