In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 21 | No |
Popular Name: (1R,8aR)-N-[(2-chloro-5-nitro-phenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(2-chloro-5-nitro-ph…
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) | 3.11 | 8.82 | -35.69 | 2 | 5 | 1 | 62 | 310.805 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.11 | 7.87 | -44.24 | 2 | 5 | 1 | 66 | 310.805 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.11 | 10.1 | -118.35 | 3 | 5 | 2 | 67 | 311.813 | 4 | ↓ |