In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 21 | Yes |
Popular Name: (1S,8R)-N-[(5-bromo-2-propoxy-phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-[(5-bromo-2-propoxy-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) | 3.71 | 6.88 | -37.68 | 2 | 3 | 1 | 29 | 354.312 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.71 | 5.67 | -2.35 | 1 | 3 | 0 | 24 | 353.304 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.71 | 8.18 | -31.95 | 2 | 3 | 1 | 26 | 354.312 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.71 | 9.38 | -106.71 | 3 | 3 | 2 | 30 | 355.32 | 6 | ↓ |