In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2009 | 16 | Yes |
Popular Name: (2S)-2-[(2S)-2-methyl-1-piperidyl]-2-(5-methyl-2-thienyl)ethanamine (2S)-2-[(2S)-2-methyl-1-piperidy…
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) | 2.09 | 4.63 | -46.04 | 3 | 2 | 1 | 31 | 239.408 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.09 | 4.37 | -2.38 | 2 | 2 | 0 | 29 | 238.4 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.09 | 6.55 | -115.45 | 4 | 2 | 2 | 32 | 240.416 | 3 | ↓ |