In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 21 | Yes |
Popular Name: 4-chloro-2-[[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidine 4-chloro-2-[[(3R)-3-pyrrolidin-1…
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) | 2.56 | 6.36 | -37.42 | 1 | 4 | 1 | 33 | 323.873 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.56 | 4.09 | -6.08 | 0 | 4 | 0 | 32 | 322.865 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.