In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2011 | 19 | No |
Popular Name: (3R,4S)-4-[(3S)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-1,1-dioxo-thiolan-3-ol (3R,4S)-4-[(3S)-3-amino-3,4-dihy…
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) | -0.50 | -0.62 | -60.49 | 4 | 5 | 1 | 85 | 283.373 | 1 | ↓ |
Hi High (pH 8-9.5) | -0.50 | -0.92 | -12.91 | 3 | 5 | 0 | 84 | 282.365 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.