UCSF

ZINC19510573

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 Yes

Popular Name: [1-(4-methylpiperazin-1-yl)cyclooctyl]methanamine [1-(4-methylpiperazin-1-yl)cyclo…

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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) 2.03 4.65 -101.22 4 3 2 35 241.423 2 ↓
Mid Mid (pH 6-8) 2.03 3.96 -126.14 4 3 2 35 241.423 2 ↓
Mid Mid (pH 6-8) 2.03 2.18 -44.78 3 3 1 34 240.415 2 ↓

Activity (Go SEA)

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