In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | Yes |
Popular Name: 2-[1-[[[(2S,4S)-4-methoxypyrrolidine-2-carbonyl]amino]methyl]cyclohexyl]acetic 2-[1-[[[(2S,4S)-4-methoxypyrroli…
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) | 0.80 | 4.09 | -69.05 | 3 | 6 | 0 | 95 | 298.383 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.80 | 2.86 | -57.69 | 2 | 6 | -1 | 90 | 297.375 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.80 | 2.1 | -42.29 | 4 | 6 | 1 | 92 | 299.391 | 6 | ↓ |