| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 10th, 2011 | 23 | Yes |
Popular Name: 1,1-dioxo-N3,N4-bis(2-pyrrolidin-1-ylethyl)-1,2,5-thiadiazole-3,4-diamine 1,1-dioxo-N3,N4-bis(2-pyrrolidin…
| 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) | -0.19 | 3.18 | -123.56 | 4 | 8 | 2 | 92 | 344.485 | 8 | ↓ |
| Hi High (pH 8-9.5) | -0.19 | -0.38 | -45.56 | 2 | 8 | 0 | 93 | 342.469 | 8 | ↓ |
| Hi High (pH 8-9.5) | -0.19 | 0.87 | -80.13 | 2 | 8 | 0 | 96 | 342.469 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.19 | 2.06 | -77.69 | 3 | 8 | 1 | 94 | 343.477 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![[1,1-diketo-4-(2-pyrrolidinoethylamino)-1,2,5-thiadiazol-3-yl]-(2-pyrrolidinoethyl)amine](http://zinc12.docking.org/img/rings/386333.gif)