In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 17 | Yes |
Popular Name: (1-aminocyclohexyl)-(4-methyl-1,4-diazepan-1-yl)methanone (1-aminocyclohexyl)-(4-methyl-1,…
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) | 1.21 | 5.75 | -109.9 | 4 | 4 | 2 | 52 | 241.379 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 3.07 | -10.04 | 2 | 4 | 0 | 50 | 239.363 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 3.23 | -45.56 | 3 | 4 | 1 | 51 | 240.371 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 5.59 | -39.03 | 3 | 4 | 1 | 51 | 240.371 | 1 | ↓ |