In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 18 | No |
Popular Name: (3S)-1-propyl-3-[[(1S)-1-(3-thienyl)ethyl]amino]pyrrolidine-2,5-dione (3S)-1-propyl-3-[[(1S)-1-(3-thie…
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) | 1.31 | 5.76 | -49.84 | 2 | 4 | 1 | 54 | 267.374 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.31 | 4.85 | -7.83 | 1 | 4 | 0 | 49 | 266.366 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.