In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 21 | Yes |
Popular Name: 2-[1-[(1S,2R)-2-amino-1-(4-chlorophenyl)propyl]-4-piperidyl]acetamide 2-[1-[(1S,2R)-2-amino-1-(4-chlor…
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) | 1.77 | 5.01 | -127.53 | 6 | 4 | 2 | 75 | 311.857 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.77 | 4.76 | -39.21 | 5 | 4 | 1 | 74 | 310.849 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.77 | 2.43 | -50.04 | 5 | 4 | 1 | 74 | 310.849 | 5 | ↓ |