UCSF

ZINC41168347

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 12 Yes

Popular Name: 1-(2,2-dimethylpropyl)-1,4-diazepane 1-(2,2-dimethylpropyl)-1,4-diaze…

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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) 1.61 4.32 -30.58 2 2 1 16 171.308 2 ↓
Lo Low (pH 4.5-6) 1.61 4.15 -35.8 2 2 1 20 171.308 2 ↓
Lo Low (pH 4.5-6) 1.61 5.58 -105.99 3 2 2 21 172.316 2 ↓

Activity (Go SEA)

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