In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 15 | No |
Popular Name: 4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]thiadiazol-5-amine 4-[[(3R)-3-(dimethylamino)pyrrol…
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) | 0.33 | 0.48 | -41.69 | 3 | 5 | 1 | 59 | 228.345 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.33 | -1.93 | -7.32 | 2 | 5 | 0 | 58 | 227.337 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.