In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 19 | Yes |
Popular Name: 1-(4,5-dimethylthiazol-2-yl)-N-propyl-cyclooctanamine 1-(4,5-dimethylthiazol-2-yl)-N-p…
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) | 4.66 | 8.31 | -31.8 | 2 | 2 | 1 | 29 | 281.489 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.66 | 8.01 | -3.6 | 1 | 2 | 0 | 25 | 280.481 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.66 | 9.07 | -91.61 | 3 | 2 | 2 | 31 | 282.497 | 4 | ↓ |