UCSF

ZINC66074801

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 38 No

Popular Name: (1R,2S)-N1,N2-bis[[2,4-bis(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine (1R,2S)-N1,N2-bis[[2,4-bis(trifl…

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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) 7.50 14.34 -48.53 3 2 1 29 567.438 10 ↓
Mid Mid (pH 6-8) 7.50 13.78 -4.99 2 2 0 24 566.43 10 ↓
Lo Low (pH 4.5-6) 7.50 15.07 -161.72 4 2 2 33 568.446 10 ↓

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

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