In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2011 | 24 | Yes |
Popular Name: 4-(azonan-1-ylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide 4-(azonan-1-ylmethyl)-N-(1,3,4-t…
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) | 3.77 | 9.3 | -55.67 | 2 | 5 | 1 | 59 | 345.492 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.77 | 7.52 | -14.76 | 1 | 5 | 0 | 58 | 344.484 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.