In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 21 | No |
Popular Name: (1S,8aR)-N-[(1S)-1-(4-nitrophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[(1S)-1-(4-nitropheny…
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) | 3.06 | 9.04 | -40.19 | 2 | 5 | 1 | 62 | 290.387 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.06 | 7.7 | -53.88 | 2 | 5 | 1 | 66 | 290.387 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.06 | 9.96 | -129.42 | 3 | 5 | 2 | 67 | 291.395 | 4 | ↓ |