In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2010 | 17 | Yes |
Popular Name: (2S)-4-[(1-ethylimidazol-2-yl)methyl]morpholine-2-carboxylic (2S)-4-[(1-ethylimidazol-2-yl)me…
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) | -0.64 | 3.96 | -50.13 | 0 | 6 | -1 | 70 | 238.267 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.64 | 5.15 | -58.38 | 1 | 6 | 0 | 72 | 239.275 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.64 | 6.95 | -100.35 | 2 | 6 | 1 | 73 | 240.283 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.64 | 6.22 | -48.54 | 1 | 6 | 0 | 72 | 239.275 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.