In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 15 | Yes |
Popular Name: (3S,5S)-3,5-dimethyl-1-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperidine (3S,5S)-3,5-dimethyl-1-[2-[(2S)-…
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) | 2.41 | 7.58 | -103.74 | 3 | 2 | 2 | 21 | 212.381 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.41 | 6.4 | -29.69 | 2 | 2 | 1 | 16 | 211.373 | 3 | ↓ |