UCSF

ZINC66738785

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2011 25 Yes

Popular Name: (2R)-2-[4-[(4S)-2-amino-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl]phenoxy]propanenitrile (2R)-2-[4-[(4S)-2-amino-3,4-dihy…

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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) 2.76 9.44 -48.84 4 7 1 100 333.375 3 ↓
Mid Mid (pH 6-8) 2.63 8.99 -21.44 3 7 0 101 332.367 3 ↓
Mid Mid (pH 6-8) 2.63 9.48 -46.45 4 7 1 103 333.375 3 ↓

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

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