In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 20 | Yes |
Popular Name: (1S,5R)-1-(aminomethyl)-N,3,3,5-tetramethyl-N-[(2-methylthiazol-4-yl)methyl]cyclohexanamine (1S,5R)-1-(aminomethyl)-N,3,3,5-…
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) | 2.07 | 6.87 | -48.77 | 3 | 3 | 1 | 44 | 296.504 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.07 | 7.04 | -160.34 | 4 | 3 | 0 | 45 | 297.512 | 4 | ↓ |