UCSF

ZINC22931898

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 31 Yes

Popular Name: N-[[4-(cyclopentoxy)-3-methoxy-phenyl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]-N-(3-pyridylmethyl)met N-[[4-(cyclopentoxy)-3-methoxy-p…

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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) 3.75 10.95 -49.18 1 5 1 39 424.609 10 ↓
Hi High (pH 8-9.5) 3.75 8.57 -7.44 0 5 0 38 423.601 10 ↓
Mid Mid (pH 6-8) 3.75 10.91 -39.17 1 5 1 39 424.609 10 ↓
Lo Low (pH 4.5-6) 3.75 11.36 -106.44 2 5 2 40 425.617 10 ↓

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

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