In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 15th, 2011 | 24 | Yes |
Popular Name: 1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-3-(2-hydroxyphenyl)propan-1-one 1-(1,4-dimethyl-1,4,9-triazaspir…
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) | 2.31 | 5.87 | -43.24 | 2 | 5 | 1 | 48 | 332.468 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 3.97 | -7.22 | 1 | 5 | 0 | 47 | 331.46 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.