UCSF

ZINC54681288

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 25 Yes

Popular Name: (4S)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4S)-4-(2-pyrrolidin-1-ylpyrimid…

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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) 1.68 10.05 -21.73 3 8 0 97 334.387 2 ↓
Mid Mid (pH 6-8) 1.68 10.56 -42.4 4 8 1 99 335.395 2 ↓

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

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