In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2011 | 20 | Yes |
Popular Name: (2S)-3-(azocan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoic (2S)-3-(azocan-1-yl)-2-cycloprop…
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) | 0.61 | 9.43 | -60.34 | 3 | 4 | 1 | 61 | 281.42 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.61 | 8.33 | -31.5 | 2 | 4 | 0 | 57 | 280.412 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.61 | 8.5 | -28.81 | 2 | 4 | 0 | 60 | 280.412 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.