UCSF

ZINC60250198

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 37 Yes

Popular Name: N-[2-[2-dimethylaminoethyl(methyl)amino]ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-propyl-1H-imida N-[2-[2-dimethylaminoethyl(methy…

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Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.35 7.95 -46.42 2 11 1 117 534.707 13 ↓
Hi High (pH 8-9.5) 2.81 3.69 -60.56 0 11 -1 119 532.691 13 ↓
Mid Mid (pH 6-8) 2.81 6.16 -65.01 1 11 0 120 533.699 13 ↓
Lo Low (pH 4.5-6) 2.35 10.25 -125.08 3 11 2 119 535.715 13 ↓

Activity (Go SEA)

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