In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 18 | Yes |
Popular Name: 5-chloro-6-[(4-ethyl-4-methyl-1-piperidyl)methyl]pyridin-2-amine 5-chloro-6-[(4-ethyl-4-methyl-1-…
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) | 3.31 | 6.75 | -29.25 | 3 | 3 | 1 | 43 | 268.812 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.31 | 4.51 | -4.14 | 2 | 3 | 0 | 42 | 267.804 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.