| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | No |
Popular Name: (3R)-3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-phenyl-propanethioamide (3R)-3-[(4aR,8aS)-3,4,4a,5,6,7,8…
| 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) | 3.28 | 9.42 | -30.19 | 3 | 2 | 1 | 30 | 303.495 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.28 | 7.74 | -6.67 | 2 | 2 | 0 | 29 | 302.487 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
