In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 20 | Yes |
Popular Name: (1S,5R)-3-(aminomethyl)-N,8-dimethyl-N-(3-pyridylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (1S,5R)-3-(aminomethyl)-N,8-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) | 0.18 | 3.26 | -129.51 | 4 | 4 | 2 | 48 | 276.428 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.18 | 2.88 | -38.6 | 3 | 4 | 1 | 47 | 275.42 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.18 | 3.71 | -106.78 | 4 | 4 | 2 | 48 | 276.428 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.18 | 1.34 | -47.43 | 3 | 4 | 1 | 47 | 275.42 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.18 | 4.18 | -174.12 | 5 | 4 | 3 | 49 | 277.436 | 4 | ↓ |