| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2008 | 24 | Yes |
Popular Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-1-yl]methyl]chromen-4-one 3-[[(3S)-3-(2-hydroxyethyl)-4-is…
| 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) | 1.74 | 4.82 | -41.19 | 2 | 5 | 1 | 58 | 331.436 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 2.65 | -13.31 | 1 | 5 | 0 | 57 | 330.428 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 5 | -41.08 | 2 | 5 | 1 | 58 | 331.436 | 5 | ↓ |
