In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 20 | Yes |
Popular Name: 4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine 4-[(2R)-2-(pyrazol-1-ylmethyl)py…
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) | 1.24 | 8.33 | -11.65 | 1 | 6 | 0 | 63 | 268.324 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.24 | 8.8 | -28.12 | 2 | 6 | 1 | 64 | 269.332 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.