In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2010 | 20 | Yes |
Popular Name: N-cycloheptyl-2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-cycloheptyl-2-[[(1S,8R)-2,3,5,…
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) | 2.65 | 5.2 | -36.39 | 3 | 4 | 1 | 46 | 280.436 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.65 | 3.86 | -42.23 | 3 | 4 | 1 | 49 | 280.436 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.65 | 2.68 | -7.78 | 2 | 4 | 0 | 44 | 279.428 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.65 | 6.36 | -108.61 | 4 | 4 | 2 | 50 | 281.444 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.