In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 19 | Yes |
Popular Name: (1R,2R)-1-(5-chloro-2-thienyl)-1-[(3R)-3-ethyl-1-piperidyl]butan-2-amine (1R,2R)-1-(5-chloro-2-thienyl)-1…
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) | 4.02 | 6.5 | -42.05 | 3 | 2 | 1 | 31 | 301.907 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.02 | 6.18 | -1.12 | 2 | 2 | 0 | 29 | 300.899 | 5 | ↓ |