UCSF

ZINC12854283

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 28 Yes

Popular Name: [4-[(1S)-1-(4-amino-6-dimethylamino-1,3,5-triazin-2-yl)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methan [4-[(1S)-1-(4-amino-6-dimethylam…

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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) 1.04 7.82 -12.39 2 9 0 101 385.472 5 ↓
Mid Mid (pH 6-8) 1.04 8.85 -36.18 3 9 1 102 386.48 5 ↓
Mid Mid (pH 6-8) 1.04 8.72 -34.89 3 9 1 102 386.48 5 ↓

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Rings

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