UCSF

ZINC49937288

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 31 Yes

Popular Name: (4-fluorophenyl)-methyl-(3-pyridyl)BLAH (4-fluorophenyl)-methyl-(3-pyrid…

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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) 4.00 12.01 -19.05 0 6 0 65 411.44 2 ↓
Lo Low (pH 4.5-6) 4.00 12.52 -15.78 1 6 0 66 412.448 2 ↓
Lo Low (pH 4.5-6) 4.00 12.46 -12.21 1 6 0 66 412.448 2 ↓

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

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