| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 20 | No |
Popular Name: (1S)-1-[4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-phenyl]ethanol (1S)-1-[4-(4-methyl-1,4-diazepan…
| 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) | 1.65 | 7.63 | -43.18 | 2 | 6 | 1 | 74 | 280.348 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.65 | 5.64 | -6.32 | 1 | 6 | 0 | 73 | 279.34 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
