UCSF

ZINC71600172

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 18 Yes

Popular Name: 1-[(5-chloro-4-methoxy-2-methyl-phenyl)methyl]-1,4-diazepane 1-[(5-chloro-4-methoxy-2-methyl-…

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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) 2.35 5.86 -39.67 2 3 1 26 269.796 3 ↓
Lo Low (pH 4.5-6) 2.35 7.12 -120.03 3 3 2 30 270.804 3 ↓
Lo Low (pH 4.5-6) 2.35 5.15 -41.84 2 3 1 29 269.796 3 ↓

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

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