In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 16 | Yes |
Popular Name: (4S)-4-amino-1-[(1S)-1-cyclohexylpropyl]pyrrolidin-2-one (4S)-4-amino-1-[(1S)-1-cyclohexy…
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) | 1.81 | 5.85 | -56.04 | 3 | 3 | 1 | 48 | 225.356 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.81 | 5.53 | -8.74 | 2 | 3 | 0 | 46 | 224.348 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.