UCSF

ZINC19872178

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 21 Yes

Popular Name: 2-[2-chloro-4-({[2-(dimethylamino)ethyl]amino}methyl)-6-methoxyphenoxy]acetamide 2-[2-chloro-4-({[2-(dimethylamin…

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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) 0.71 1.88 -59.01 4 6 1 81 316.809 9 ↓
Mid Mid (pH 6-8) 0.71 2.99 -50.7 4 6 1 78 316.809 9 ↓

Activity (Go SEA)

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