| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 21 | No |
Popular Name: 2-[3-[(1S)-1-aminoethyl]phenyl]-4H-isoquinoline-1,3-dione 2-[3-[(1S)-1-aminoethyl]phenyl]-…
| 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) | 0.23 | 6.54 | -51.13 | 3 | 4 | 1 | 65 | 281.335 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.23 | 6.21 | -12.98 | 2 | 4 | 0 | 63 | 280.327 | 2 | ↓ |
