In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 16 | Yes |
Popular Name: N5-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]pyridine-2,5-diamine N5-[(1R,8R)-2,3,5,6,7,8-hexahydr…
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) | 1.75 | 4.4 | -80.64 | 5 | 4 | 2 | 57 | 220.32 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.75 | 1.98 | -28.45 | 4 | 4 | 1 | 55 | 219.312 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.