| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2011 | 19 | Yes |
Popular Name: (3S)-3-methyl-1-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(4-methyl-1,4-di…
| 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) | 0.39 | 7 | -53.04 | 1 | 6 | 0 | 68 | 269.345 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.39 | 4.99 | -44.41 | 0 | 6 | -1 | 67 | 268.337 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
