UCSF

ZINC19633396

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 22 Yes

Popular Name: N'-[(2-chloro-6-fluoro-phenyl)methyl]-N'-(3-dimethylaminopropyl)-N,N-dimethyl-propane-1,3-diamine N'-[(2-chloro-6-fluoro-phenyl)me…

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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) 3.09 9.89 -88.42 2 3 2 12 331.907 10 ↓
Mid Mid (pH 6-8) 3.09 9.65 -95.79 2 3 2 12 331.907 10 ↓

Activity (Go SEA)

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