| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | No |
Popular Name: (3S)-N-isopropyl-1,1-dioxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiolan-3-amine (3S)-N-isopropyl-1,1-dioxo-3-(4,…
| 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) | 1.86 | 2.51 | -12.29 | 1 | 4 | 0 | 59 | 314.476 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 3.55 | -49.14 | 2 | 4 | 1 | 64 | 315.484 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 3.94 | -111.08 | 3 | 4 | 2 | 65 | 316.492 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 3.13 | -36.29 | 2 | 4 | 1 | 60 | 315.484 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
