In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 10th, 2009 | 30 | Yes |
Popular Name: diamino-(2-furylmethyl)-oxo-(1-piperidyl)BLAHcarbonitrile diamino-(2-furylmethyl)-oxo-(1-p…
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) | 1.62 | 5.94 | -23.09 | 4 | 9 | 0 | 138 | 403.446 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 6.4 | -58.32 | 5 | 9 | 1 | 140 | 404.454 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.