UCSF

ZINC65501313

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 19 Yes

Popular Name: (4aR)-N-methyl-N-[2-(4-pyridyl)ethyl]-4aH-pyrrolo[2,3-d]pyrimidin-4-amine (4aR)-N-methyl-N-[2-(4-pyridyl)e…

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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) 1.29 8 -11.56 1 5 0 58 253.309 4 ↓
Mid Mid (pH 6-8) 1.29 8.46 -39.68 2 5 1 59 254.317 4 ↓
Lo Low (pH 4.5-6) 1.29 8.92 -76.21 3 5 2 60 255.325 4 ↓

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

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