In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 18 | Yes |
Popular Name: (1S,3S)-1-(aminomethyl)-N,3-dimethyl-N-[(2-methylthiazol-4-yl)methyl]cyclohexanamine (1S,3S)-1-(aminomethyl)-N,3-dime…
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) | 1.41 | 4.49 | -48.27 | 3 | 3 | 1 | 44 | 268.45 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.41 | 5.97 | -114.01 | 4 | 3 | 2 | 45 | 269.458 | 4 | ↓ |