UCSF

ZINC67955661

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 27 Yes

Popular Name: (3R)-1-[(2-fluoro-5-methoxy-phenyl)methyl]-3-hydroxy-3-[[2-(1H-imidazol-4-yl)ethylamino]methyl]piper (3R)-1-[(2-fluoro-5-methoxy-phen…

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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) 0.51 5.15 -43.97 4 7 1 95 377.44 8 ↓
Hi High (pH 8-9.5) 0.51 3.81 -15.36 3 7 0 90 376.432 8 ↓
Lo Low (pH 4.5-6) 0.51 5.61 -102.52 5 7 2 96 378.448 8 ↓

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

No pre-computed analogs available. Try a structural similarity search.