UCSF

ZINC02823537

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 18 Yes

Popular Name: phenethyl(2-phenoxyethyl)ammonium phenethyl(2-phenoxyethyl)ammonium

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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) 3.23 8.71 -42.95 2 2 1 26 242.342 7 ↓
Hi High (pH 8-9.5) 3.23 7.31 -4.99 1 2 0 21 241.334 7 ↓

Activity (Go SEA)

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