In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 15th, 2008 | 27 | Yes |
Popular Name: N-[2-(1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)ethyl]BLAHcarboxamide N-[2-(1,7-diazabicyclo[4.3.0]non…
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) | 4.12 | -1.9 | -18.1 | 1 | 5 | 0 | 56 | 375.453 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.12 | 10.3 | -36.84 | 2 | 5 | 1 | 57 | 376.461 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.