UCSF

ZINC35367989

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 16 Yes

Popular Name: 2-(4-isopropylpiperazin-1-yl)pyridin-3-amine 2-(4-isopropylpiperazin-1-yl)pyr…

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) 1.14 5.44 -32.5 3 4 1 47 221.328 2 ↓
Hi High (pH 8-9.5) 1.14 3.28 -5.07 2 4 0 45 220.32 2 ↓
Mid Mid (pH 6-8) 1.14 5.9 -83.13 4 4 2 48 222.336 2 ↓
Mid Mid (pH 6-8) 1.14 3.75 -26.39 3 4 1 47 221.328 2 ↓

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

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