| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 21 | Yes |
Popular Name: (2R,3R,4S)-1-[(4-amino-8-quinolyl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol (2R,3R,4S)-1-[(4-amino-8-quinoly…
| 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) | -0.66 | -1.57 | -91.52 | 7 | 6 | 2 | 105 | 291.351 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.66 | -3.72 | -10.68 | 5 | 6 | 0 | 103 | 289.335 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.66 | -1.99 | -29.08 | 6 | 6 | 1 | 104 | 290.343 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.66 | -3.72 | -31.38 | 6 | 6 | 1 | 104 | 290.343 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
