In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 18 | Yes |
Popular Name: (1R)-1-cyclohexyl-N-methyl-N-[(2-methylthiazol-4-yl)methyl]ethane-1,2-diamine (1R)-1-cyclohexyl-N-methyl-N-[(2…
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) | 1.71 | 4.22 | -49.18 | 3 | 3 | 1 | 44 | 268.45 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.70 | 6.34 | -29.25 | 3 | 3 | 1 | 43 | 268.45 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.71 | 6.24 | -122.13 | 4 | 3 | 2 | 45 | 269.458 | 5 | ↓ |