In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 19 | Yes |
Popular Name: [(1S)-1-[(3S)-3-methyl-1-piperidyl]tetralin-1-yl]methanamine [(1S)-1-[(3S)-3-methyl-1-piperid…
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) | 2.73 | 7.82 | -126.23 | 4 | 2 | 2 | 32 | 260.425 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.73 | 7.51 | -28.86 | 3 | 2 | 1 | 30 | 259.417 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.73 | 5.78 | -46.6 | 3 | 2 | 1 | 31 | 259.417 | 2 | ↓ |