UCSF

ZINC70104126

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 18 Yes

Popular Name: 7-[(1S)-2-cyclopropyl-1-methyl-ethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1S)-2-cyclopropyl-1-methyl-e…

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Download: MOL2 SDF SMILES Flexibase

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) 2.33 8.83 -8.23 2 4 0 57 244.342 3 ↓
Lo Low (pH 4.5-6) 2.33 9.23 -26.47 3 4 1 58 245.35 3 ↓

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

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