In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 20 | Yes |
Popular Name: (4S)-N-[(1-ethyl-4-piperidyl)methyl]thiochroman-4-amine (4S)-N-[(1-ethyl-4-piperidyl)met…
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) | 2.47 | 10.46 | -107.25 | 3 | 2 | 2 | 21 | 292.492 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.47 | 9.73 | -35.34 | 2 | 2 | 1 | 16 | 291.484 | 4 | ↓ |