UCSF

ZINC52483165

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 21 Yes

Popular Name: (1S)-N'-ethyl-N-methyl-1-phenyl-N-[2-(4-pyridyl)ethyl]ethane-1,2-diamine (1S)-N'-ethyl-N-methyl-1-phenyl-…

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Annotations

None

Vendors

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) 2.25 9.77 -124.37 3 3 2 34 285.435 8 ↓
Hi High (pH 8-9.5) 2.25 7.64 -3.86 1 3 0 28 283.419 8 ↓
Mid Mid (pH 6-8) 2.25 7.76 -43.39 2 3 1 33 284.427 8 ↓
Mid Mid (pH 6-8) 2.25 8.24 -79.32 3 3 2 34 285.435 8 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.