In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 21 | No |
Popular Name: (1S,8aR)-N-[(2-chloro-5-nitro-phenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,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 | 8.64 | -36.59 | 2 | 5 | 1 | 62 | 310.805 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.11 | 7.56 | -45.96 | 2 | 5 | 1 | 66 | 310.805 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.11 | 9.82 | -118.53 | 3 | 5 | 2 | 67 | 311.813 | 4 | ↓ |