In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2011 | 22 | Yes |
Popular Name: N'-(9-azaspiro[5.5]undecan-3-yl)-N-(3-pyridyl)propane-1,3-diamine N'-(9-azaspiro[5.5]undecan-3-yl)…
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 | 5.69 | -100.25 | 5 | 4 | 2 | 58 | 304.482 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 6.15 | -150.93 | 6 | 4 | 3 | 59 | 305.49 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.