In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 14th, 2010 | 17 | No |
Popular Name: 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)propan-2-one 1-(3,4-dihydro-2H-pyrimido[1,2-a…
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) | 1.60 | 9.53 | -30.13 | 1 | 4 | 1 | 41 | 230.291 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.60 | 8.46 | -13.48 | 0 | 4 | 0 | 39 | 229.283 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | WO1999000390A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.