UCSF

ZINC53342597

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 19 Yes

Popular Name: N-[(2-bromophenyl)methyl]-N'-cyclohexyl-N-methyl-ethane-1,2-diamine N-[(2-bromophenyl)methyl]-N'-cyc…

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Download: MOL2 SDF SMILES Flexibase

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) 4.19 7.97 -37.15 2 2 1 20 326.302 6 ↓
Hi High (pH 8-9.5) 4.19 8.96 -31.87 2 2 1 16 326.302 6 ↓
Lo Low (pH 4.5-6) 4.19 10.13 -113.18 3 2 2 21 327.31 6 ↓

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

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