UCSF

ZINC54426001

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 30 Yes

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

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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) 3.92 12.56 -45.34 4 7 1 100 395.446 4 ↓
Mid Mid (pH 6-8) 3.79 12.12 -21.76 3 7 0 101 394.438 4 ↓

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

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