In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 20 | Yes |
Popular Name: (1R,5R)-1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-pyridylmethyl)cyclohexanamine (1R,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) | 2.01 | 6.86 | -114.42 | 4 | 3 | 2 | 45 | 277.456 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.01 | 6.85 | -28.97 | 3 | 3 | 1 | 43 | 276.448 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.01 | 5.19 | -101.39 | 4 | 3 | 2 | 45 | 277.456 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.01 | 4.59 | -49.92 | 3 | 3 | 1 | 44 | 276.448 | 4 | ↓ |