In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 18 | No |
Popular Name: (3S)-3-[[(1S)-cyclohex-3-en-1-yl]methylamino]-1-propyl-pyrrolidine-2,5-dione (3S)-3-[[(1S)-cyclohex-3-en-1-yl…
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) | 1.57 | 6.56 | -53.03 | 2 | 4 | 1 | 54 | 251.35 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.57 | 5.3 | -8.75 | 1 | 4 | 0 | 49 | 250.342 | 5 | ↓ |