In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2011 | 25 | Yes |
Popular Name: 4-[4-[(5-isobutyl-1H-pyrazol-3-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine 4-[4-[(5-isobutyl-1H-pyrazol-3-y…
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) | 2.97 | 7.28 | -10.01 | 1 | 6 | 0 | 61 | 356.499 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.97 | 9.75 | -51.4 | 2 | 6 | 1 | 62 | 357.507 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.