| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 23 | No |
Popular Name: (5R)-5-[(E)-(3-chlorobenzothiophen-2-yl)methyleneamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (5R)-5-[(E)-(3-chlorobenzothioph…
| 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) | 4.58 | 8.08 | -12.25 | 1 | 3 | 0 | 45 | 342.851 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.58 | 9.05 | -43.47 | 2 | 3 | 1 | 47 | 343.859 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.58 | 8.35 | -43 | 2 | 3 | 1 | 47 | 343.859 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
