In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 21 | Yes |
Popular Name: 6-bromo-N4-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]quinoline-3,4-diamine 6-bromo-N4-[(1S,8R)-2,3,5,6,7,8-…
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) | 3.65 | 6.47 | -82.03 | 5 | 4 | 2 | 57 | 349.276 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.65 | 6.03 | -37.63 | 4 | 4 | 1 | 55 | 348.268 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.