| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 28 | No |
Popular Name: (2S)-N2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-N1,N1-diethyl-propane-1,2-diamine (2S)-N2-[4-(azepan-1-ylsulfonyl)…
| 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) | 4.19 | 9.62 | -50.43 | 2 | 8 | 1 | 100 | 413.564 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.19 | 7.03 | -11.81 | 1 | 8 | 0 | 98 | 412.556 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
