UCSF

ZINC37719318

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 19 Yes

Popular Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-2-(4-pyridyl)ethanamine N-[(3-fluoro-4-methoxy-phenyl)me…

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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) 2.16 5.29 -8.83 1 3 0 34 260.312 6 ↓
Mid Mid (pH 6-8) 2.16 5.75 -38.04 2 3 1 35 261.32 6 ↓

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

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