In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2011 | 20 | Yes |
Popular Name: (2S)-2-amino-4-(4-benzyl-1-piperidyl)-2-methyl-butan-1-ol (2S)-2-amino-4-(4-benzyl-1-piper…
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) | 2.40 | 5.71 | -111.11 | 5 | 3 | 2 | 52 | 278.44 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.40 | 5.38 | -40.22 | 4 | 3 | 1 | 51 | 277.432 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 3.46 | -38.39 | 4 | 3 | 1 | 51 | 277.432 | 6 | ↓ |