In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 18 | Yes |
Popular Name: 2-[(2R)-1-[(1S)-2-amino-1-(3-methyl-2-thienyl)ethyl]-2-piperidyl]ethanol 2-[(2R)-1-[(1S)-2-amino-1-(3-met…
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) | 1.54 | 1.57 | -48.8 | 4 | 3 | 1 | 51 | 269.434 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.54 | 1.29 | -4.62 | 3 | 3 | 0 | 49 | 268.426 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.54 | 3.42 | -27.09 | 4 | 3 | 1 | 51 | 269.434 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.54 | 3.47 | -118.34 | 5 | 3 | 2 | 52 | 270.442 | 5 | ↓ |