In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 25 | Yes |
Popular Name: 6-[[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]methyl]-3-phenyl-pyrazolo[1,5-a]pyrimidine 6-[[(2R)-2-butyl-2,5-dihydropyrr…
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) | 4.39 | 12.85 | -47.01 | 1 | 4 | 1 | 35 | 333.459 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.39 | 10.68 | -8.66 | 0 | 4 | 0 | 33 | 332.451 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.