UCSF

ZINC69805163

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 29 Yes

Popular Name: 6-[[(3S)-3-(morpholinomethyl)-1-piperidyl]methyl]-N4-(o-tolyl)-1,3,5-triazine-2,4-diamine 6-[[(3S)-3-(morpholinomethyl)-1-…

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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) 2.38 11.32 -39.12 4 8 1 94 398.535 6 ↓
Mid Mid (pH 6-8) 2.38 13.25 -105.52 5 8 2 95 399.543 6 ↓
Mid Mid (pH 6-8) 2.38 9.1 -7.94 3 8 0 92 397.527 6 ↓
Lo Low (pH 4.5-6) 2.38 13.57 -192 6 8 3 96 400.551 6 ↓

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

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