| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2008 | 23 | Yes |
Popular Name: 4-[(1S)-1-(hydroxymethyl)-3-methyl-butyl]-1-phenethyl-1,4-diazepan-5-one 4-[(1S)-1-(hydroxymethyl)-3-meth…
None
| 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) | 2.64 | 8.95 | -48.73 | 2 | 4 | 1 | 45 | 319.469 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.64 | 6.97 | -7.43 | 1 | 4 | 0 | 44 | 318.461 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
