UCSF

ZINC07419536

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2006 27 Yes

Popular Name: 8-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-3-methyl-1,7-diazabicyclo[4.4.0]deca-2,4, 8-[[(4-ethoxy-3-methoxy-phenyl)m…

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Vendors

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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) 2.92 11.21 -52.21 1 6 1 57 368.457 7 ↓
Hi High (pH 8-9.5) 2.92 8.85 -16.41 0 6 0 56 367.449 7 ↓
Mid Mid (pH 6-8) 2.92 8.74 -39.06 1 6 1 57 368.457 7 ↓
Mid Mid (pH 6-8) 2.92 11.05 -119.76 2 6 2 59 369.465 7 ↓

Activity (Go SEA)

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