UCSF

ZINC22931843

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 29 Yes

Popular Name: N-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]-N-(3-pyridylmethyl)methana N-[(6-ethoxy-1,3-benzodioxol-5-y…

Find On: PubMed — Wikipedia — Google

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) 2.95 7.94 -43.37 1 6 1 48 398.527 9 ↓
Hi High (pH 8-9.5) 2.95 6.09 -7.72 0 6 0 47 397.519 9 ↓
Mid Mid (pH 6-8) 2.95 8.29 -33.12 1 6 1 48 398.527 9 ↓
Lo Low (pH 4.5-6) 2.95 8.55 -87.17 2 6 2 50 399.535 9 ↓

Activity (Go SEA)

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

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