| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 18 | Yes |
Popular Name: (1S)-1-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]thiazol-5-yl]ethanamine (1S)-1-[2-[(4aR,8aS)-3,4,4a,5,6,…
| 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) | 1.37 | 7.07 | -42.22 | 3 | 3 | 1 | 44 | 266.434 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 6.74 | -4.35 | 2 | 3 | 0 | 42 | 265.426 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
