UCSF

ZINC66065889

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 26 Yes

Popular Name: (1R,2R)-N1,N2-bis[(2,4-dichlorophenyl)methyl]cyclohexane-1,2-diamine (1R,2R)-N1,N2-bis[(2,4-dichlorop…

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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) 6.63 11.52 -36.47 3 2 1 29 433.23 6 ↓
Hi High (pH 8-9.5) 6.63 10.34 -2.95 2 2 0 24 432.222 6 ↓
Lo Low (pH 4.5-6) 6.63 12.63 -125.77 4 2 2 33 434.238 6 ↓

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

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