UCSF

ZINC65533006

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 18 Yes

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

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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) 2.45 8.3 -8.82 1 4 0 45 258.35 3 ↓
Mid Mid (pH 6-8) 1.99 8.65 -37.12 1 4 1 42 259.358 3 ↓
Lo Low (pH 4.5-6) 2.45 8.77 -32.71 2 4 1 46 259.358 3 ↓

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

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