In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 19 | No |
Popular Name: (3S)-1-isopropyl-3-[[(1S)-1-(4-pyridyl)ethyl]amino]pyrrolidine-2,5-dione (3S)-1-isopropyl-3-[[(1S)-1-(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) | 0.23 | 4.96 | -54.17 | 2 | 5 | 1 | 67 | 262.333 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.23 | 3.93 | -9.11 | 1 | 5 | 0 | 62 | 261.325 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.23 | 4.39 | -37.97 | 2 | 5 | 1 | 64 | 262.333 | 4 | ↓ |