UCSF

ZINC48947672

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 Yes

Popular Name: (1R,2R,4R)-4-tert-butyl-N2-methyl-N2-[[(2S)-tetrahydropyran-2-yl]methyl]cyclohexane-1,2-diamine (1R,2R,4R)-4-tert-butyl-N2-methy…

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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) 2.82 4.82 -38.07 3 3 1 40 283.48 4 ↓
Hi High (pH 8-9.5) 2.82 6.51 -30.18 3 3 1 40 283.48 4 ↓

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Rings

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

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