In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 20 | Yes |
Popular Name: (2R,4S,5R)-N-[(1S)-2-(3-chlorophenyl)-1-methyl-ethyl]-1,2,5-trimethyl-piperidin-4-amine (2R,4S,5R)-N-[(1S)-2-(3-chloroph…
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) | 4.11 | 9.82 | -31.62 | 2 | 2 | 1 | 16 | 295.878 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.11 | 8.58 | -38.63 | 2 | 2 | 1 | 20 | 295.878 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.11 | 10.53 | -100.33 | 3 | 2 | 2 | 21 | 296.886 | 4 | ↓ |