UCSF

ZINC65497165

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 Yes

Popular Name: (5S)-6-[4-[(5-ethyl-2-pyridyl)methyl]piperazin-1-yl]-5H-purin-2-amine (5S)-6-[4-[(5-ethyl-2-pyridyl)me…

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Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.11 6.3 -16.22 2 8 0 94 338.419 4 ↓
Mid Mid (pH 6-8) 0.11 6.3 -38.65 3 8 1 96 339.427 4 ↓
Lo Low (pH 4.5-6) 0.11 6.71 -87.17 4 8 2 98 340.435 4 ↓
Lo Low (pH 4.5-6) 0.11 6.72 -51.51 3 8 1 95 339.427 4 ↓

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Rings

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

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