UCSF

ZINC11785657

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 32 Yes

Popular Name: N-[[3-methoxy-4-(2-pyridylmethoxy)phenyl]methyl]-3-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]thiop N-[[3-methoxy-4-(2-pyridylmethox…

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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) 3.50 0.5 -15.72 0 6 0 61 452.576 9 ↓
Lo Low (pH 4.5-6) 3.50 0.56 -45.22 1 6 1 62 453.584 9 ↓

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

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