UCSF

ZINC19677875

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 16 Yes

Popular Name: 1-[4-(4-piperidyl)piperazin-1-yl]propan-1-one 1-[4-(4-piperidyl)piperazin-1-yl…

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Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.26 2.64 -47.26 2 4 1 40 226.344 2 ↓
Mid Mid (pH 6-8) 0.26 3.44 -45.27 2 4 1 37 226.344 2 ↓
Mid Mid (pH 6-8) 0.26 1.22 -7.42 1 4 0 36 225.336 2 ↓
Lo Low (pH 4.5-6) 0.26 4.86 -114.68 3 4 2 41 227.352 2 ↓

Activity (Go SEA)

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