UCSF

ZINC58003659

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 28 No

Popular Name: 9-[3-[4-(6-nitro-3-pyridyl)piperazin-1-yl]propyl]purin-6-amine 9-[3-[4-(6-nitro-3-pyridyl)piper…

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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) 1.42 10.42 -71.14 3 11 1 136 384.424 6 ↓
Mid Mid (pH 6-8) 1.42 8.21 -20.56 2 11 0 135 383.416 6 ↓

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

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