UCSF

ZINC34678363

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 32 Yes

Popular Name: (4-methyl-1-piperidyl)-[2-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]oxazol-4-yl]m (4-methyl-1-piperidyl)-[2-[[4-[[…

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Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) 3.28 8.96 -51.98 1 6 1 54 451.513 6 ↓
Mid Mid (pH 6-8) 3.28 8.98 -50.43 1 6 1 54 451.513 6 ↓
Mid Mid (pH 6-8) 3.28 6.71 -8.7 0 6 0 53 450.505 6 ↓

Activity (Go SEA)

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