| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 22 | Yes |
Popular Name: (2S)-1-[[(4S)-6-chlorothiochroman-4-yl]amino]-3-morpholino-propan-2-ol (2S)-1-[[(4S)-6-chlorothiochroma…
| 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) | 1.18 | 3.34 | -48.57 | 3 | 4 | 1 | 49 | 343.9 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 2.12 | -5.63 | 2 | 4 | 0 | 45 | 342.892 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.18 | 5.61 | -119.8 | 4 | 4 | 2 | 51 | 344.908 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.18 | 6.14 | -45.75 | 3 | 4 | 1 | 53 | 343.9 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
