UCSF

ZINC52483164

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1R)-N'-ethyl-N-methyl-1-phenyl-N-[2-(4-pyridyl)ethyl]ethane-1,2-diamine (1R)-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 9.75 -124.44 3 3 2 34 285.435 8 ↓
Hi High (pH 8-9.5) 2.25 6.53 -4.59 1 3 0 28 283.419 8 ↓
Mid Mid (pH 6-8) 2.25 8.07 -43.25 2 3 1 33 284.427 8 ↓
Mid Mid (pH 6-8) 2.25 8.26 -79.68 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.