UCSF

ZINC36865967

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 Yes

Popular Name: (1S)-N'-[(2S,6R)-2,6-dimethylcyclohexyl]-N,N-dimethyl-1-(2-thienyl)ethane-1,2-diamine (1S)-N'-[(2S,6R)-2,6-dimethylcyc…

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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) 4.00 7.55 -32.23 2 2 1 20 281.489 5 ↓
Hi High (pH 8-9.5) 4.00 6.87 -0.84 1 2 0 15 280.481 5 ↓
Lo Low (pH 4.5-6) 4.00 10.05 -106.92 3 2 2 21 282.497 5 ↓

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

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