| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2011 | 21 | Yes |
Popular Name: (3S)-1-(4-methyl-1,4-diazepane-1-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(4-methyl-1,4-diazepane-1…
| 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) | 1.29 | 8.49 | -76.52 | 1 | 6 | 0 | 68 | 297.399 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.29 | 6.4 | -48.02 | 0 | 6 | -1 | 67 | 296.391 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
