UCSF

ZINC35017616

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 26 Yes

Popular Name: (2Z)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-8,9,9-trimethyl-6,7-dihydropyrazino[1,2-a]p (2Z)-2-[[(4-fluorophenyl)methyla…

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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) 1.23 7.05 -78.14 2 7 0 91 360.389 3 ↓
Mid Mid (pH 6-8) 1.23 4.04 -11.39 2 7 0 87 360.389 3 ↓
Mid Mid (pH 6-8) 1.23 4.96 -57.12 1 7 -1 90 359.381 3 ↓
Lo Low (pH 4.5-6) 1.29 4.74 -24.64 2 7 0 95 360.389 3 ↓
Lo Low (pH 4.5-6) 1.29 4.86 -98.66 4 7 2 94 362.405 3 ↓
Lo Low (pH 4.5-6) 1.29 6.78 -61.22 3 7 1 97 361.397 3 ↓
Lo Low (pH 4.5-6) 1.23 6.1 -54.57 3 7 1 89 361.397 3 ↓

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