In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 18 | Yes |
Popular Name: (2S)-N-[(1R)-1-[(3R)-1-methyl-3-piperidyl]ethyl]-1-(2-thienyl)propan-2-amine (2S)-N-[(1R)-1-[(3R)-1-methyl-3-…
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) | 3.26 | 8.86 | -89.45 | 3 | 2 | 2 | 21 | 268.47 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.26 | 7.92 | -33.07 | 2 | 2 | 1 | 16 | 267.462 | 5 | ↓ |