| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 21 | No |
Popular Name: 2-[[(3S)-1,1-dioxothian-3-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-[[(3S)-1,1-dioxothian-3-yl]ami…
| 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) | 1.31 | 3.33 | -21.58 | 3 | 5 | 0 | 85 | 325.459 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.31 | 3.65 | -48.89 | 4 | 5 | 1 | 86 | 326.467 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
