In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 16 | Yes |
Popular Name: (2R)-2-[(3S)-3-methyl-1-piperidyl]-2-(3-methyl-2-thienyl)ethanamine (2R)-2-[(3S)-3-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) | 2.15 | 4.25 | -42.66 | 3 | 2 | 1 | 31 | 239.408 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.15 | 4.05 | -1.7 | 2 | 2 | 0 | 29 | 238.4 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.15 | 5.79 | -27.26 | 3 | 2 | 1 | 30 | 239.408 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.15 | 6.46 | -113.45 | 4 | 2 | 2 | 32 | 240.416 | 3 | ↓ |