UCSF

ZINC32070906

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 23 Yes

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

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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) 1.99 6.2 -46.22 3 4 1 53 314.453 8 ↓
Mid Mid (pH 6-8) 1.99 6.66 -98.5 4 4 2 54 315.461 8 ↓

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

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