UCSF

ZINC54720692

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 25 No

Popular Name: N2-(1H-benzimidazol-5-yl)-N4-[(3S,5R)-5-cyclopropylpyrazolidin-3-yl]pyrimidine-2,4-diamine N2-(1H-benzimidazol-5-yl)-N4-[(3…

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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) 2.28 7.05 -12.31 5 8 0 103 336.403 5 ↓
Mid Mid (pH 6-8) 2.28 7.58 -40.28 6 8 1 104 337.411 5 ↓
Lo Low (pH 4.5-6) 2.28 8.37 -168.44 8 8 3 110 339.427 5 ↓

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

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