UCSF

ZINC49575021

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 15 Yes

Popular Name: N-[2-(1-piperidyl)ethyl]piperidin-4-amine N-[2-(1-piperidyl)ethyl]piperidi…

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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) 0.86 5.42 -197.13 5 3 3 38 214.377 4 ↓
Hi High (pH 8-9.5) 0.86 4.09 -113.4 4 3 2 33 213.369 4 ↓
Hi High (pH 8-9.5) 0.86 2.03 -37.03 3 3 1 32 212.361 4 ↓
Mid Mid (pH 6-8) 0.86 4.25 -83.26 4 3 2 33 213.369 4 ↓
Mid Mid (pH 6-8) 0.86 3.21 -105.06 4 3 2 36 213.369 4 ↓

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

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