In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 16 | Yes |
Popular Name: 4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]butan-1-amine 4-[4-(1,3,4-thiadiazol-2-yl)pipe…
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) | -0.01 | 3.99 | -110.54 | 4 | 5 | 2 | 61 | 243.38 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.01 | 1.79 | -48.86 | 3 | 5 | 1 | 60 | 242.372 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.