UCSF

ZINC34677107

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 36 Yes

Popular Name: 2-[[4-[(2R)-2-hydroxy-3-morpholino-propyl]piperazin-1-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methy 2-[[4-[(2R)-2-hydroxy-3-morpholi…

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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) 1.09 0.52 -47.71 3 9 1 96 512.553 10 ↓
Mid Mid (pH 6-8) 1.09 2.8 -97.51 4 9 2 97 513.561 10 ↓
Mid Mid (pH 6-8) 1.09 -1.75 -11.83 2 9 0 94 511.545 10 ↓

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