In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2011 | 21 | Yes |
Popular Name: (2R)-3-(4-benzyl-1-piperidyl)-2-(isopropylamino)propan-1-ol (2R)-3-(4-benzyl-1-piperidyl)-2-…
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) | 2.73 | 7.84 | -110.1 | 4 | 3 | 2 | 41 | 292.467 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.73 | 4.44 | -3.13 | 2 | 3 | 0 | 35 | 290.451 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.73 | 6.8 | -30.96 | 3 | 3 | 1 | 37 | 291.459 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.73 | 6.01 | -31.82 | 3 | 3 | 1 | 40 | 291.459 | 7 | ↓ |