In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 17th, 2008 | 19 | Yes |
Popular Name: (1S)-1-(1-adamantyl)-2-(2-methylimidazol-1-yl)ethanamine (1S)-1-(1-adamantyl)-2-(2-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) | 1.88 | 7.88 | -114.06 | 4 | 3 | 2 | 47 | 261.413 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 7.46 | -54.71 | 3 | 3 | 1 | 45 | 260.405 | 3 | ↓ |