UCSF

ZINC67472632

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 24 Yes

Popular Name: 4-[4-[(5-ethyl-2-pyridyl)methyl]piperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine 4-[4-[(5-ethyl-2-pyridyl)methyl]…

Find On: PubMed — Wikipedia — Google

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) 1.82 7.7 -9.78 1 6 0 61 322.416 4 ↓
Mid Mid (pH 6-8) 1.82 9.92 -39.16 2 6 1 62 323.424 4 ↓
Mid Mid (pH 6-8) 1.82 8.12 -36.01 2 6 1 62 323.424 4 ↓
Lo Low (pH 4.5-6) 1.82 8.58 -71.43 3 6 2 63 324.432 4 ↓

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

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