In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 21 | Yes |
Popular Name: (2S,4R,5R)-1,2,5-trimethyl-N-[(1S)-3-methyl-1-phenyl-butyl]piperidin-4-amine (2S,4R,5R)-1,2,5-trimethyl-N-[(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) | 3.66 | 11.27 | -100.65 | 3 | 2 | 2 | 21 | 290.495 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.66 | 10.36 | -33.07 | 2 | 2 | 1 | 16 | 289.487 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.66 | 8.71 | -36.49 | 2 | 2 | 1 | 20 | 289.487 | 5 | ↓ |