In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 26 | Yes |
Popular Name: 4-[(7-chloro-4-oxo-spiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)methyl]benzonitrile 4-[(7-chloro-4-oxo-spiro[1,3-dih…
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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) | 3.09 | 8.55 | -63.18 | 3 | 5 | 1 | 69 | 367.86 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.09 | 6.31 | -11.65 | 2 | 5 | 0 | 68 | 366.852 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.