UCSF

ZINC19632702

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 24 No

Popular Name: N'-[(4-chloro-3-nitro-phenyl)methyl]-N'-(3-dimethylaminopropyl)-N,N-dimethyl-propane-1,3-diamine N'-[(4-chloro-3-nitro-phenyl)met…

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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) 2.91 11.01 -98.54 2 6 2 58 358.914 11 ↓
Hi High (pH 8-9.5) 2.91 8.19 -55.99 1 6 1 57 357.906 11 ↓
Mid Mid (pH 6-8) 2.91 10.72 -120.94 2 6 2 58 358.914 11 ↓

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