In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 21 | Yes |
Popular Name: 4-[(3S)-3-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]butyl]phenol 4-[(3S)-3-[[(1S,8aR)-1,2,3,5,6,7…
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) | 3.32 | 5.62 | -44.04 | 3 | 3 | 1 | 40 | 289.443 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.32 | 7.88 | -115.37 | 4 | 3 | 2 | 41 | 290.451 | 5 | ↓ |