| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2011 | 21 | Yes |
Popular Name: (3S)-3-methyl-3-(4-methylpiperazine-1-carbonyl)isochroman-1-one (3S)-3-methyl-3-(4-methylpiperaz…
| 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) | 1.44 | 5.5 | -10.22 | 0 | 5 | 0 | 50 | 288.347 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.44 | 7.84 | -41.96 | 1 | 5 | 1 | 51 | 289.355 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
