UCSF

ZINC00093935

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 21 Yes

Popular Name: 1-(4-methylbenzoyl)-4-(2-pyridinyl)piperazine 1-(4-methylbenzoyl)-4-(2-pyridin…

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Other Names:

MFCD01524888

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) 2.04 8.95 -37.2 1 4 1 38 282.367 2 ↓
Mid Mid (pH 6-8) 2.04 8.62 -10.94 0 4 0 36 281.359 2 ↓

Activity (Go SEA)

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