In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2011 | 25 | Yes |
Popular Name: 1-(2,6-dimethyl-1-piperidinyl)-3-{4-nitrophenoxy}-2-propanol 1-(2,6-dimethyl-1-piperidinyl)-3…
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) | 3.04 | 11.04 | -77.73 | 0 | 6 | -1 | 84 | 355.757 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.24 | 9.05 | -47.47 | 1 | 6 | 0 | 86 | 356.765 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.