In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 18 | Yes |
Popular Name: (2S)-1-(4-amino-1-piperidyl)-2-(4-methylpiperazin-1-yl)propan-1-one (2S)-1-(4-amino-1-piperidyl)-2-(…
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 | 2.28 | -94.58 | 4 | 5 | 2 | 56 | 256.394 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.82 | -0.34 | -54.66 | 3 | 5 | 1 | 54 | 255.386 | 2 | ↓ |