In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2011 | 25 | Yes |
Popular Name: 7-[(3-chloro-4-pyrazol-1-yl-anilino)methyl]-3-methyl-thiazolo[3,2-a]pyrimidin-5-one 7-[(3-chloro-4-pyrazol-1-yl-anil…
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) | 3.04 | 9.08 | -45.55 | 2 | 6 | 1 | 65 | 372.861 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.04 | 8.68 | -15.54 | 1 | 6 | 0 | 64 | 371.853 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.