In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 13 | Yes |
Popular Name: (2S)-N-methyl-N-[[(3R)-3-piperidyl]methyl]butan-2-amine (2S)-N-methyl-N-[[(3R)-3-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) | 1.76 | 6.12 | -98.51 | 3 | 2 | 2 | 21 | 186.343 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.76 | 4.8 | -30.27 | 2 | 2 | 1 | 16 | 185.335 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.76 | 4.54 | -35.07 | 2 | 2 | 1 | 20 | 185.335 | 4 | ↓ |