In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 20 | No |
Popular Name: 4-[[3-(cyclohexoxy)propylamino]methyl]benzene-1,2-diol 4-[[3-(cyclohexoxy)propylamino]m…
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) | 2.69 | 3.88 | -50.09 | 4 | 4 | 1 | 66 | 280.388 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 4.68 | -75.15 | 3 | 4 | 0 | 69 | 279.38 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 4.83 | -56.4 | 3 | 4 | 0 | 69 | 279.38 | 7 | ↓ |