UCSF

ZINC37234623

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 Yes

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

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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) 2.98 5.46 -36.5 2 3 1 29 283.461 6 ↓
Hi High (pH 8-9.5) 2.98 5.05 -2.69 1 3 0 24 282.453 6 ↓
Lo Low (pH 4.5-6) 2.98 7.81 -108.75 3 3 2 30 284.469 6 ↓

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

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