In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2011 | 20 | Yes |
Popular Name: (2S)-2-amino-6-[(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-methyl-hexan-1-ol (2S)-2-amino-6-[(1R,2R,5R)-2-iso…
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) | 4.21 | 5.35 | -37.6 | 4 | 3 | 1 | 57 | 286.48 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.21 | 5.13 | -1.91 | 3 | 3 | 0 | 55 | 285.472 | 8 | ↓ |