UCSF

ZINC37039536

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 Yes

Popular Name: 5-[4-(2-pyridyl)piperazin-1-yl]pentan-1-amine 5-[4-(2-pyridyl)piperazin-1-yl]p…

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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) 0.88 6.55 -96.88 4 4 2 48 250.39 6 ↓
Hi High (pH 8-9.5) 0.88 4.33 -45.58 3 4 1 47 249.382 6 ↓
Mid Mid (pH 6-8) 0.88 4.65 -77.7 4 4 2 48 250.39 6 ↓
Lo Low (pH 4.5-6) 0.88 6.87 -158.31 5 4 3 49 251.398 6 ↓

Activity (Go SEA)

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