In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 26 | Yes |
Popular Name: 1,3,6-trimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide 1,3,6-trimethyl-N-(3-phenyl-1,2,…
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) | 2.91 | 7.88 | -13.05 | 1 | 7 | 0 | 86 | 364.434 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.98 | 5.99 | -43.2 | 0 | 7 | -1 | 92 | 363.426 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.