In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 13 | Yes |
Popular Name: (1S,2R,5S)-1-(aminomethyl)-2-isopropyl-5-methyl-cyclohexanol (1S,2R,5S)-1-(aminomethyl)-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) | 2.21 | 2.2 | -48.04 | 4 | 2 | 1 | 48 | 186.319 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 1.9 | -1.56 | 3 | 2 | 0 | 46 | 185.311 | 2 | ↓ |