In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 18 | Yes |
Popular Name: 2-[[(2S)-2-[methyl-(1-methyl-4-piperidyl)amino]propanoyl]amino]acetic 2-[[(2S)-2-[methyl-(1-methyl-4-p…
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) | -1.47 | 1.93 | -61.38 | 2 | 6 | 0 | 77 | 257.334 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.47 | 4.24 | -107.58 | 3 | 6 | 1 | 78 | 258.342 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.47 | 1.83 | -57.2 | 2 | 6 | 0 | 77 | 257.334 | 5 | ↓ |