| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2009 | 28 | Yes |
Popular Name: LS-113331 LS-113331
| 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) | 2.18 | 7.16 | -44.26 | 2 | 4 | 1 | 45 | 417.62 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 4.92 | -16.85 | 1 | 4 | 0 | 44 | 416.612 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 6.36 | -38.18 | 2 | 4 | 1 | 45 | 417.62 | 5 | ↓ |
