In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 19 | Yes |
Popular Name: [(2R)-1-[(1R,2S)-2-amino-1-(4-chlorophenyl)propyl]-2-piperidyl]methanol [(2R)-1-[(1R,2S)-2-amino-1-(4-ch…
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) | 2.07 | 4.06 | -114.75 | 5 | 3 | 2 | 52 | 284.831 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.07 | 3.74 | -30.39 | 4 | 3 | 1 | 51 | 283.823 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.07 | 2.37 | -49.06 | 4 | 3 | 1 | 51 | 283.823 | 4 | ↓ |