In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | Yes |
Popular Name: (2R)-2-[[(3S)-1-benzyl-3-piperidyl]amino]-3-methyl-butanoic (2R)-2-[[(3S)-1-benzyl-3-piperid…
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) | 0.82 | 9.17 | -52.6 | 2 | 4 | 0 | 57 | 290.407 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.82 | 7.66 | -34.98 | 2 | 4 | 0 | 60 | 290.407 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.82 | 9.88 | -81.16 | 3 | 4 | 1 | 61 | 291.415 | 6 | ↓ |