In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 21 | No |
Popular Name: (3R)-1-cyclopentyl-3-[[(1S)-2-(diethylamino)-1-methyl-ethyl]amino]pyrrolidine-2,5-dione (3R)-1-cyclopentyl-3-[[(1S)-2-(d…
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) | 1.40 | 6.38 | -43.63 | 2 | 5 | 1 | 54 | 296.435 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 5.7 | -43.16 | 2 | 5 | 1 | 57 | 296.435 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 4.75 | -6.5 | 1 | 5 | 0 | 53 | 295.427 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.40 | 7.7 | -124.6 | 3 | 5 | 2 | 58 | 297.443 | 7 | ↓ |