UCSF

ZINC36946452

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 Yes

Popular Name: 1-[(3,5-dimethylphenyl)methyl]-1,4-diazepane 1-[(3,5-dimethylphenyl)methyl]-1…

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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) 2.13 6.54 -31.02 2 2 1 16 219.352 2 ↓
Lo Low (pH 4.5-6) 2.13 5.69 -36.95 2 2 1 20 219.352 2 ↓
Lo Low (pH 4.5-6) 2.13 7.78 -113.38 3 2 2 21 220.36 2 ↓

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