In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2008 | 21 | Yes |
Popular Name: 2-(1-adamantyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone 2-(1-adamantyl)-1-(4-methyl-1,4-…
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) | 3.03 | 10.53 | -41.99 | 1 | 3 | 1 | 25 | 291.459 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.03 | 8.01 | -6.04 | 0 | 3 | 0 | 24 | 290.451 | 2 | ↓ |