| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 20 | Yes |
Popular Name: [3-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]phenyl]methanamine [3-[(4-methyl-1,4-diazepan-1-yl)…
| 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) | 0.64 | 3.77 | -99.32 | 4 | 5 | 2 | 69 | 299.44 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | 1.66 | -49.81 | 3 | 5 | 1 | 68 | 298.432 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
