UCSF

ZINC66073917

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 30 Yes

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

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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) 5.86 11.52 -52.97 3 2 1 29 431.444 8 ↓
Hi High (pH 8-9.5) 5.86 10.46 -3.88 2 2 0 24 430.436 8 ↓
Lo Low (pH 4.5-6) 5.86 12.7 -150.45 4 2 2 33 432.452 8 ↓

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

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