In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 18 | No |
Popular Name: (3S)-1-ethyl-3-[2-(1-piperidyl)ethylamino]pyrrolidine-2,5-dione (3S)-1-ethyl-3-[2-(1-piperidyl)e…
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) | 0.20 | 4.47 | -40.12 | 2 | 5 | 1 | 54 | 254.354 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.20 | 2.26 | -6.62 | 1 | 5 | 0 | 53 | 253.346 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.20 | 5.74 | -127.14 | 3 | 5 | 2 | 58 | 255.362 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.