In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 17 | Yes |
Popular Name: N1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]benzene-1,4-diamine N1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…
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) | 2.58 | 5.55 | -33.87 | 4 | 3 | 1 | 42 | 232.351 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 3.4 | -2.45 | 3 | 3 | 0 | 41 | 231.343 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.58 | 5.42 | -83.98 | 5 | 3 | 2 | 44 | 233.359 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.