UCSF

ZINC22101461

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 16 Yes

Popular Name: 1-[(1R)-1-(p-tolyl)ethyl]-1,4-diazepane 1-[(1R)-1-(p-tolyl)ethyl]-1,4-di…

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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) 2.32 6.13 -32.54 2 2 1 16 219.352 2 ↓
Lo Low (pH 4.5-6) 2.32 6 -39 2 2 1 20 219.352 2 ↓
Lo Low (pH 4.5-6) 2.32 7.53 -111.1 3 2 2 21 220.36 2 ↓

Activity (Go SEA)

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