UCSF

ZINC67742779

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 24 Yes

Popular Name: 6-[(2S)-2-(aminomethyl)-5-methyl-2,3-dihydrobenzofuran-7-yl]-N2,N2-diethyl-pyrimidine-2,4-diamine 6-[(2S)-2-(aminomethyl)-5-methyl…

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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) 2.42 8.41 -87.09 6 6 2 93 329.448 5 ↓
Hi High (pH 8-9.5) 2.42 7.93 -10.41 4 6 0 90 327.432 5 ↓
Mid Mid (pH 6-8) 2.42 8.31 -50.79 5 6 1 92 328.44 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.