UCSF

ZINC34678380

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 34 Yes

Popular Name: [2-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone [2-[[4-[(4-fluorophenyl)methyl]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) 2.99 9.71 -50.33 1 7 1 57 464.565 6 ↓
Mid Mid (pH 6-8) 2.99 9.76 -51.51 1 7 1 57 464.565 6 ↓
Mid Mid (pH 6-8) 2.99 7.47 -9.37 0 7 0 56 463.557 6 ↓

Activity (Go SEA)

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