In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2011 | 20 | Yes |
Popular Name: (4-ethylpiperazin-1-yl)-(3-methylimidazo[1,5-a]pyridin-1-yl)methanone (4-ethylpiperazin-1-yl)-(3-methy…
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) | 1.14 | 6.66 | -13.35 | 0 | 5 | 0 | 41 | 272.352 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.14 | 8.88 | -39.85 | 1 | 5 | 1 | 42 | 273.36 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.