In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 20 | Yes |
Popular Name: (1S,5R)-3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine (1S,5R)-3-(aminomethyl)-N-cycloh…
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) | 2.42 | 4.76 | -119.83 | 4 | 3 | 2 | 35 | 281.488 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 4.89 | -35.94 | 3 | 3 | 1 | 34 | 280.48 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 5.12 | -102.59 | 4 | 3 | 2 | 35 | 281.488 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 2.73 | -43.65 | 3 | 3 | 1 | 34 | 280.48 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.42 | 7.11 | -212.54 | 5 | 3 | 3 | 37 | 282.496 | 3 | ↓ |