| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 25 | No |
Popular Name: [(2S,3R)-1-[[(4S)-1-(2-aminoethyl)azepan-4-yl]carbamoyl]-2-formyl-pyrrolidin-3-yl]sulfamic [(2S,3R)-1-[[(4S)-1-(2-aminoethy…
| 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) | -3.19 | -0.68 | -142.15 | 6 | 10 | 1 | 151 | 378.475 | 6 | ↓ |
| Mid Mid (pH 6-8) | -3.19 | -2.74 | -79.44 | 5 | 10 | 0 | 150 | 377.467 | 6 | ↓ |
| Mid Mid (pH 6-8) | -3.19 | -1.06 | -67.84 | 5 | 10 | 0 | 149 | 377.467 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
