| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2011 | 20 | No |
Popular Name: (3S)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-3-methyl-pyrrolidine-3-carboxamide (3S)-N-(5,7-dichloro-2,1,3-benzo…
| 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) | 2.93 | 3.56 | -44.09 | 3 | 5 | 1 | 71 | 332.236 | 2 | ↓ |
| Ref Reference (pH 7) | 3.12 | 1.18 | -45.16 | 3 | 5 | 1 | 75 | 332.236 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 1.89 | -44.13 | 2 | 5 | 0 | 78 | 331.228 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | -0.27 | -5.26 | 2 | 5 | 0 | 70 | 331.228 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
