UCSF

ZINC19872213

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 27 Yes

Popular Name: (1-Ethyl-pyrrolidin-2-ylmethyl)-[2-(4-fluoro-benzyloxy)-3-methoxy-benzyl]-amine (1-Ethyl-pyrrolidin-2-ylmethyl)-…

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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) 3.87 11.22 -123.83 3 4 2 40 374.5 9 ↓
Mid Mid (pH 6-8) 3.87 9.86 -37.64 2 4 1 35 373.492 9 ↓

Activity (Go SEA)

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