In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: 2-isobutoxy-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine 2-isobutoxy-6-(4-methyl-1,4-diaz…
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) | 2.26 | 6.44 | -39.16 | 3 | 5 | 1 | 56 | 279.408 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.26 | 4.44 | -5.12 | 2 | 5 | 0 | 55 | 278.4 | 4 | ↓ |