UCSF

ZINC65532764

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 Yes

Popular Name: (4aR)-N-[[(3S)-1-(2-methoxyethyl)-3-piperidyl]methyl]-N-methyl-4aH-pyrrolo[2,3-d]pyrimidin-4-amine (4aR)-N-[[(3S)-1-(2-methoxyethyl…

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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) 1.57 9 -39.22 2 6 1 58 304.418 6 ↓
Hi High (pH 8-9.5) 1.10 6.34 -12.55 0 6 0 53 303.41 6 ↓
Mid Mid (pH 6-8) 1.10 8.9 -105.68 2 6 2 56 305.426 6 ↓

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

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