In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 28 | Yes |
Popular Name: 1-[[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]methyl]indoline-2,3-dione 1-[[4-[2-(azepan-1-yl)-2-oxo-eth…
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) | 1.57 | 9.19 | -44.35 | 1 | 7 | 1 | 67 | 385.488 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.57 | 6.97 | -16.95 | 0 | 7 | 0 | 66 | 384.48 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.57 | 8.52 | -47.19 | 1 | 7 | 1 | 67 | 385.488 | 4 | ↓ |