In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2010 | 19 | Yes |
Popular Name: 2-(4-tert-butyl-1,4-diazepan-1-yl)pyridine-3-carbonitrile 2-(4-tert-butyl-1,4-diazepan-1-y…
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) | 2.19 | 9.08 | -32.36 | 1 | 4 | 1 | 44 | 259.377 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.19 | 7.39 | -6.24 | 0 | 4 | 0 | 43 | 258.369 | 2 | ↓ |