In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 19 | Yes |
Popular Name: 1-(aminomethyl)-N-methyl-N-(2-pyridylmethyl)cyclooctanamine 1-(aminomethyl)-N-methyl-N-(2-py…
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) | 2.36 | 6.7 | -127.83 | 4 | 3 | 2 | 45 | 263.429 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 6.38 | -30.14 | 3 | 3 | 1 | 43 | 262.421 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 5.07 | -49.09 | 3 | 3 | 1 | 44 | 262.421 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.36 | 5.25 | -105.38 | 4 | 3 | 2 | 45 | 263.429 | 4 | ↓ |