In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2010 | 11 | Yes |
Popular Name: 1-Cyclobutyl-[1,4]diazepane 1-Cyclobutyl-[1,4]diazepane
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CAS Numbers: 851048-49-2 , 851049-21-3
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) | 0.57 | 2.85 | -34.95 | 2 | 2 | 1 | 20 | 155.265 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.57 | 3.61 | -27.02 | 2 | 2 | 1 | 16 | 155.265 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.57 | 1.59 | -1.23 | 1 | 2 | 0 | 15 | 154.257 | 1 | ↓ |