In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 20 | Yes |
Popular Name: (1R)-1-(1-adamantyl)-2-(4-methyl-1-piperidyl)ethanamine (1R)-1-(1-adamantyl)-2-(4-methyl…
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) | 3.29 | 9.11 | -139.15 | 4 | 2 | 2 | 32 | 278.484 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.29 | 8.73 | -32.86 | 3 | 2 | 1 | 30 | 277.476 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.29 | 7.18 | -44.69 | 3 | 2 | 1 | 31 | 277.476 | 3 | ↓ |